6WIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wie by Molmil](/molmil-images/mine/6wie) | Post-catalytic nicked complex of human Polymerase Mu on a complementary DNA double-strand break substrate | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*G)-3'), ... | Authors: | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2020-04-09 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break. Nat Commun, 11, 2020
|
|
8DV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dv7 by Molmil](/molmil-images/mine/8dv7) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethyl)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-28 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
|
|
8VUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vue by Molmil](/molmil-images/mine/8vue) | L5A7 Fab bound to Indonesia2005 Hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Olia, A.S, Gorman, J, Kwong, P.D. | Deposit date: | 2024-01-29 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody. Front Immunol, 15, 2024
|
|
8DUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dub by Molmil](/molmil-images/mine/8dub) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with ((1'-(4-((1-ethylpyrrolidin-3-yl)methyl)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
|
|
6WFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfg by Molmil](/molmil-images/mine/6wfg) | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfo by Molmil](/molmil-images/mine/6wfo) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
|
|
6WJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wj1 by Molmil](/molmil-images/mine/6wj1) | Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ... | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
|
|
6YTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ytm by Molmil](/molmil-images/mine/6ytm) | Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Bromodomain-containing protein 2, methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | Authors: | Bond, A.G, Ciulli, A, Cowan, A.D. | Deposit date: | 2020-04-24 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Stereoselective synthesis of allele-specific BET inhibitors. Org.Biomol.Chem., 18, 2020
|
|
6WT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wt9 by Molmil](/molmil-images/mine/6wt9) | Structure of STING-associated CdnE c-di-GMP synthase from Capnocytophaga granulosa | Descriptor: | NTP_transf_2 domain-containing protein | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
|
|
6WIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wis by Molmil](/molmil-images/mine/6wis) | Copper resistance protein copG- Form 1 | Descriptor: | ACETATE ION, COPPER (II) ION, DUF411 domain-containing protein, ... | Authors: | Hausrath, A.C, Ly, A, McEvoy, M.M. | Deposit date: | 2020-04-10 | Release date: | 2020-06-24 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The bacterial copper resistance protein CopG contains a cysteine-bridged tetranuclear copper cluster. J.Biol.Chem., 295, 2020
|
|
6YTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ytw by Molmil](/molmil-images/mine/6ytw) | CLK3 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
|
|
5J88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j88 by Molmil](/molmil-images/mine/5j88) | Structure of the E coli 70S ribosome with the U1060A mutation in 16S rRNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | Authors: | Cocozaki, A, Ferguson, A. | Deposit date: | 2016-04-07 | Release date: | 2016-07-06 | Last modified: | 2016-12-07 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5IU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iu4 by Molmil](/molmil-images/mine/5iu4) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
|
|
5M4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m4f by Molmil](/molmil-images/mine/5m4f) | Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions | Descriptor: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | Deposit date: | 2016-10-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.519 Å) | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
|
|
5M4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m4i by Molmil](/molmil-images/mine/5m4i) | Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under high-salt conditions | Descriptor: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | Deposit date: | 2016-10-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.218 Å) | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
|
|
6WMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmn by Molmil](/molmil-images/mine/6wmn) | |
5M4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m4c by Molmil](/molmil-images/mine/5m4c) | Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under low-salt conditions | Descriptor: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | Deposit date: | 2016-10-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
|
|
8K4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k4e by Molmil](/molmil-images/mine/8k4e) | |
8VUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vuz by Molmil](/molmil-images/mine/8vuz) | L5A7 Fab bound to 28H6E11 anti-idiotype Fab | Descriptor: | 28H6E11 Fab Heavy Chain, 28H6E11 Fab Light Chain, L5A7 Fab Heavy Chain, ... | Authors: | Olia, A.S, Morano, N.C, Kwong, P.D. | Deposit date: | 2024-01-30 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody. Front Immunol, 15, 2024
|
|
6WT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wt6 by Molmil](/molmil-images/mine/6wt6) | Structure of a metazoan TIR-STING receptor from C. gigas | Descriptor: | Metazoan TIR-STING fusion | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
|
|
6WMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmo by Molmil](/molmil-images/mine/6wmo) | |
8P8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p8n by Molmil](/molmil-images/mine/8p8n) | Mouse RPL39 integrated into the yeast 60S ribosomal subunit | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-02 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Yeast 60S ribosomal subunit, RPL39 deletion To Be Published
|
|
6T3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3s by Molmil](/molmil-images/mine/6t3s) | |
8UT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ut5 by Molmil](/molmil-images/mine/8ut5) | CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody UCA6_N55T | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Huang, J, Han, J, Ward, A.B. | Deposit date: | 2023-10-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
|
|
6Z9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z9l by Molmil](/molmil-images/mine/6z9l) | Enterococcal PrgA | Descriptor: | Poly-alanine peptide, PrgA, SULFATE ION | Authors: | Berntsson, R.P.A, Schmitt, A. | Deposit date: | 2020-06-04 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.063 Å) | Cite: | Enterococcal PrgA Extends Far Outside the Cell and Provides Surface Exclusion to Protect against Unwanted Conjugation. J.Mol.Biol., 432, 2020
|
|