8T2H
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![BU of 8t2h by Molmil](/molmil-images/mine/8t2h) | DYRK1A complex with DYR530 | Descriptor: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... | Authors: | Montfort, W.R, Basantes, L.E. | Deposit date: | 2023-06-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
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8T25
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![BU of 8t25 by Molmil](/molmil-images/mine/8t25) | Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at downRBD conformation. | Descriptor: | Angiotensin-converting enzyme, Spike glycoprotein | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | Deposit date: | 2023-06-05 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2. J Med Virol, 95, 2023
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8T23
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![BU of 8t23 by Molmil](/molmil-images/mine/8t23) | Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at upRBD conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | Deposit date: | 2023-06-05 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2. J Med Virol, 95, 2023
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8T22
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![BU of 8t22 by Molmil](/molmil-images/mine/8t22) | Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors at downRBD conformation | Descriptor: | Angiotensin-converting enzyme, Spike glycoprotein | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | Deposit date: | 2023-06-05 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.83 Å) | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2. J Med Virol, 95, 2023
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8T21
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![BU of 8t21 by Molmil](/molmil-images/mine/8t21) | Cryo-EM structure of mink variant Y453F trimeric spike protein | Descriptor: | Spike glycoprotein | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | Deposit date: | 2023-06-05 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2. J Med Virol, 95, 2023
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8T20
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![BU of 8t20 by Molmil](/molmil-images/mine/8t20) | Cryo-EM structure of mink variant Y453F trimeric spike protein bound to two mink ACE2 receptors | Descriptor: | Angiotensin-converting enzyme, Spike glycoprotein | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | Deposit date: | 2023-06-05 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2. J Med Virol, 95, 2023
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8T1R
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![BU of 8t1r by Molmil](/molmil-images/mine/8t1r) | Crystal structure of human CPSF73 catalytic segment in complex with compound 2 | Descriptor: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | Authors: | Huang, J, Tong, L. | Deposit date: | 2023-06-02 | Release date: | 2023-11-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
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8T1Q
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![BU of 8t1q by Molmil](/molmil-images/mine/8t1q) | Crystal structure of human CPSF73 catalytic segment in complex with compound 1 | Descriptor: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | Authors: | Huang, J, Tong, L. | Deposit date: | 2023-06-02 | Release date: | 2023-11-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
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8T1N
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![BU of 8t1n by Molmil](/molmil-images/mine/8t1n) | Micro-ED Structure of a Novel Domain of Unknown Function Solved with AlphaFold | Descriptor: | DUF1842 domain-containing protein | Authors: | Miller, J.E, Cascio, D, Sawaya, M.R, Cannon, K.A, Rodriguez, J.A, Yeates, T.O. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol, 80, 2024
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8T1M
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![BU of 8t1m by Molmil](/molmil-images/mine/8t1m) | Novel Domain of Unknown Function Solved with AlphaFold | Descriptor: | DUF1842 domain-containing protein | Authors: | Miller, J.E, Agdanowski, M.P, Cascio, D, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol, 80, 2024
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8T1A
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![BU of 8t1a by Molmil](/molmil-images/mine/8t1a) | |
8T10
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![BU of 8t10 by Molmil](/molmil-images/mine/8t10) | TRPV1 in nanodisc bound with two LPA molecules in opposite monomers | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8T0Y
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![BU of 8t0y by Molmil](/molmil-images/mine/8t0y) | TRPV1 in nanodisc bound with one LPA in one monomer | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ... | Authors: | Arnold, W.R, Cheng, Y. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8T0T
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![BU of 8t0t by Molmil](/molmil-images/mine/8t0t) | Structure of Compound 4 bound to human ALDH1A1 | Descriptor: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | Authors: | Hurley, T.D. | Deposit date: | 2023-06-01 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes. Chem.Biol.Interact., 391, 2024
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8T0N
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![BU of 8t0n by Molmil](/molmil-images/mine/8t0n) | Structure of Compound 4 bound to human ALDH1A1 | Descriptor: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | Authors: | Hurley, T.D. | Deposit date: | 2023-06-01 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes. Chem.Biol.Interact., 391, 2024
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8T0M
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![BU of 8t0m by Molmil](/molmil-images/mine/8t0m) | Proteasome 20S core particle from Pre1-1 Pre4-1 Double mutant | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | Deposit date: | 2023-06-01 | Release date: | 2023-09-06 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis. Nat.Struct.Mol.Biol., 30, 2023
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8T0J
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![BU of 8t0j by Molmil](/molmil-images/mine/8t0j) | Salmonella Typhimurium ArnD | Descriptor: | Probable 4-deoxy-4-formamido-L-arabinose-phosphoundecaprenol deformylase ArnD | Authors: | Sousa, M.C, Munoz-Escudero, D, Lee, M. | Deposit date: | 2023-06-01 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance. Biochemistry, 62, 2023
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8T0E
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![BU of 8t0e by Molmil](/molmil-images/mine/8t0e) | TRPV1 in Nanodisc not bound with lysophosphatidic acid (apo) | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | Authors: | Arnold, W.R, Cheng, Y. | Deposit date: | 2023-05-31 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8T0B
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![BU of 8t0b by Molmil](/molmil-images/mine/8t0b) | |
8T08
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![BU of 8t08 by Molmil](/molmil-images/mine/8t08) | Preholo-Proteasome from Pre1-1 Pre4-1 Double Mutant | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | Deposit date: | 2023-05-31 | Release date: | 2023-09-06 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis. Nat.Struct.Mol.Biol., 30, 2023
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8SZV
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![BU of 8szv by Molmil](/molmil-images/mine/8szv) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | Deposit date: | 2023-05-30 | Release date: | 2023-10-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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8SZR
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![BU of 8szr by Molmil](/molmil-images/mine/8szr) | Dog DHX9 bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RNA helicase, ... | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | Deposit date: | 2023-05-30 | Release date: | 2023-08-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Crystal structures of the DExH-box RNA helicase DHX9. Acta Crystallogr D Struct Biol, 79, 2023
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8SZQ
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![BU of 8szq by Molmil](/molmil-images/mine/8szq) | Cat DHX9 bound to ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | Deposit date: | 2023-05-30 | Release date: | 2023-08-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.711 Å) | Cite: | Crystal structures of the DExH-box RNA helicase DHX9. Acta Crystallogr D Struct Biol, 79, 2023
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8SZP
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![BU of 8szp by Molmil](/molmil-images/mine/8szp) | Human DHX9 bound to ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | Deposit date: | 2023-05-30 | Release date: | 2023-08-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structures of the DExH-box RNA helicase DHX9. Acta Crystallogr D Struct Biol, 79, 2023
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8SZO
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![BU of 8szo by Molmil](/molmil-images/mine/8szo) | Canavalia villosa lectin in complex with alpha-methyl-mannoside | Descriptor: | CALCIUM ION, Canavalia villosa lectin, GLYCEROL, ... | Authors: | Cavada, B.S, Lossio, C.F, Pinto-Junior, V.R, Osterne, V.J.S, Oliveira, M.V, Neco, A.H.B, Nascimento, K.S. | Deposit date: | 2023-05-30 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lectin from Canavalia villosa seeds: A glucose/mannose-specific protein and a new tool for inflammation studies. Int J Biol Macromol, 105, 2017
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