8FJY
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![BU of 8fjy by Molmil](/molmil-images/mine/8fjy) | Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJX
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![BU of 8fjx by Molmil](/molmil-images/mine/8fjx) | Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJW
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![BU of 8fjw by Molmil](/molmil-images/mine/8fjw) | Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJV
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![BU of 8fjv by Molmil](/molmil-images/mine/8fjv) | Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJU
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![BU of 8fju by Molmil](/molmil-images/mine/8fju) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJT
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![BU of 8fjt by Molmil](/molmil-images/mine/8fjt) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor | Descriptor: | GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJN
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![BU of 8fjn by Molmil](/molmil-images/mine/8fjn) | |
8FJM
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![BU of 8fjm by Molmil](/molmil-images/mine/8fjm) | |
8FJI
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![BU of 8fji by Molmil](/molmil-images/mine/8fji) | Crystal structure of RalA in a covalent complex with SOF-367 | Descriptor: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | Deposit date: | 2022-12-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. Chemmedchem, 18, 2023
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8FJH
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![BU of 8fjh by Molmil](/molmil-images/mine/8fjh) | Crystal structure of RalA in a covalent complex with SOF-531 | Descriptor: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | Deposit date: | 2022-12-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. Chemmedchem, 18, 2023
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8FJ7
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![BU of 8fj7 by Molmil](/molmil-images/mine/8fj7) | LSD1-CoREST in complex with T108 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8FJ6
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![BU of 8fj6 by Molmil](/molmil-images/mine/8fj6) | LSD1-CoREST in complex with T108, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8FJ3
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![BU of 8fj3 by Molmil](/molmil-images/mine/8fj3) | Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A) | Descriptor: | C-C motif chemokine 7, Evasin P1243 | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2022-12-19 | Release date: | 2023-03-29 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
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8FJ2
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![BU of 8fj2 by Molmil](/molmil-images/mine/8fj2) | Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17 | Descriptor: | C-C motif chemokine 17, Evasin P1243 | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2022-12-19 | Release date: | 2023-03-29 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
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8FJ0
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![BU of 8fj0 by Molmil](/molmil-images/mine/8fj0) | Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2 | Descriptor: | C-C motif chemokine 2, Evasin P1243 | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2022-12-18 | Release date: | 2023-03-29 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
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8FIV
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8FIS
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![BU of 8fis by Molmil](/molmil-images/mine/8fis) | Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-16 | Release date: | 2023-02-01 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency. Mabs, 15, 2023
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8FIG
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![BU of 8fig by Molmil](/molmil-images/mine/8fig) | |
8FIA
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![BU of 8fia by Molmil](/molmil-images/mine/8fia) | The structure of fly Teneurin self assembly | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bandekar, S.J, Li, J, Arac, D. | Deposit date: | 2022-12-15 | Release date: | 2023-05-03 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of fly Teneurin-m reveals an asymmetric self-assembly that allows expansion into zippers. Embo Rep., 24, 2023
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8FI9
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![BU of 8fi9 by Molmil](/molmil-images/mine/8fi9) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5001 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | Authors: | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | Deposit date: | 2022-12-15 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun, 15, 2024
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8FHY
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![BU of 8fhy by Molmil](/molmil-images/mine/8fhy) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MALONATE ION, ... | Authors: | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | Deposit date: | 2022-12-15 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun, 15, 2024
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8FHW
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![BU of 8fhw by Molmil](/molmil-images/mine/8fhw) | |
8FHS
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![BU of 8fhs by Molmil](/molmil-images/mine/8fhs) | Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-12-15 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8FHM
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![BU of 8fhm by Molmil](/molmil-images/mine/8fhm) | RNase A-Uridine 5'-Hexaphosphate (RNaseA.p6U) | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | Authors: | Park, G, Cummins, C. | Deposit date: | 2022-12-14 | Release date: | 2023-12-20 | Method: | SOLUTION SCATTERING (1.79 Å), X-RAY DIFFRACTION | Cite: | Experimental and Computational Studies for the Effect of Lengthening the Phosphate Chain of Nucleotide on the RNase A inhibitors. To Be Published
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8FHJ
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![BU of 8fhj by Molmil](/molmil-images/mine/8fhj) | Crystal structure of a FAD monooxygenease from Methylocystis sp. Strain SB2 | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Stewart, A.M, Sawaya, M.R, Stewart, C.E. | Deposit date: | 2022-12-14 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2. Acta Crystallogr.,Sect.F, 79, 2023
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