8VLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vlq by Molmil](/molmil-images/mine/8vlq) | Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9 | Descriptor: | (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Purohit, V, Steussy, C.N, Stauffacher, C.V. | Deposit date: | 2024-01-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
|
|
8VLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vls by Molmil](/molmil-images/mine/8vls) | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | Deposit date: | 2024-01-12 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vlx by Molmil](/molmil-images/mine/8vlx) | HTT in complex with HAP40 and a small molecule. | Descriptor: | 40-kDa huntingtin-associated protein, Huntingtin, N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea | Authors: | Poweleit, N, Boudet, J, Doherty, E. | Deposit date: | 2024-01-12 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Discovery of a Small Molecule Ligand to the Huntingtin/HAP40 complex To Be Published
|
|
8VOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vol by Molmil](/molmil-images/mine/8vol) | |
8VOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vom by Molmil](/molmil-images/mine/8vom) | |
8VON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8von by Molmil](/molmil-images/mine/8von) | |
8VOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vov by Molmil](/molmil-images/mine/8vov) | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | Deposit date: | 2024-01-16 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vpy by Molmil](/molmil-images/mine/8vpy) | UIC-16-MER extension of UIC-1 | Descriptor: | METHANOL, UIC-16-MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
|
|
8VPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vpz by Molmil](/molmil-images/mine/8vpz) | UIC-1-BPE1MER mutation of UIC-1-cap | Descriptor: | METHANOL, UIC-1-BPE1MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
|
|
8VQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vq0 by Molmil](/molmil-images/mine/8vq0) | UIC-13-MER extension of UIC-1 | Descriptor: | METHANOL, UIC-13-MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
|
|
8VQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
|
|
8VQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vq4 by Molmil](/molmil-images/mine/8vq4) | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
|
|
8VQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vql by Molmil](/molmil-images/mine/8vql) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime | Descriptor: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqm by Molmil](/molmil-images/mine/8vqm) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime | Descriptor: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqn by Molmil](/molmil-images/mine/8vqn) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R | Descriptor: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqq by Molmil](/molmil-images/mine/8vqq) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-19 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqx by Molmil](/molmil-images/mine/8vqx) | |
8VQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqy by Molmil](/molmil-images/mine/8vqy) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus methaqualone | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | Deposit date: | 2024-01-19 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Structural insights into GABA A receptor potentiation by Quaalude. Nat Commun, 15, 2024
|
|
8VR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vr3 by Molmil](/molmil-images/mine/8vr3) | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ... | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2024-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
|
|
8VR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vr5 by Molmil](/molmil-images/mine/8vr5) | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2024-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
|
|
8VRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vrh by Molmil](/molmil-images/mine/8vrh) | E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frkic, R.L, Jackson, C.J. | Deposit date: | 2024-01-22 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
|
|
8VRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vrj by Molmil](/molmil-images/mine/8vrj) | Rigid body fitted model for gamma tubulin ring complex capped microtubule | Descriptor: | Actin, cytoplasmic 1, Gamma-tubulin complex component 3, ... | Authors: | Aher, A, Urnavicius, L, Kapoor, T.M. | Deposit date: | 2024-01-22 | Release date: | 2024-03-27 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structure of the gamma-tubulin ring complex-capped microtubule. Nat.Struct.Mol.Biol., 31, 2024
|
|
8VRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vrk by Molmil](/molmil-images/mine/8vrk) | Rigid body fitted model for refined density map of gamma tubulin ring complex capped microtubule | Descriptor: | Actin, cytoplasmic 1, Gamma-tubulin complex component 3, ... | Authors: | Aher, A, Urnavicius, L, Kapoor, T.M. | Deposit date: | 2024-01-22 | Release date: | 2024-03-27 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | Structure of the gamma-tubulin ring complex-capped microtubule. Nat.Struct.Mol.Biol., 31, 2024
|
|
8VRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vrn by Molmil](/molmil-images/mine/8vrn) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus PPTQ | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one, ... | Authors: | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | Deposit date: | 2024-01-22 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural insights into GABA A receptor potentiation by Quaalude. Nat Commun, 15, 2024
|
|
8VRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vru by Molmil](/molmil-images/mine/8vru) | GII.4c apo norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | Deposit date: | 2024-01-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Advancement of norovirus therapies To Be Published
|
|