8EID
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![BU of 8eid by Molmil](/molmil-images/mine/8eid) | Co-crystal structure of Chaetomium glucosidase with compound 14 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EI9
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![BU of 8ei9 by Molmil](/molmil-images/mine/8ei9) | Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H332, a Helicon Polypeptide | Descriptor: | Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H332, ... | Authors: | Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8EI7
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![BU of 8ei7 by Molmil](/molmil-images/mine/8ei7) | Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8EI6
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![BU of 8ei6 by Molmil](/molmil-images/mine/8ei6) | Crystal structure of the WWP2 HECT domain in complex with H305, a Helicon Polypeptide | Descriptor: | H305, N,N'-(1,4-phenylene)diacetamide, NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8EI5
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![BU of 8ei5 by Molmil](/molmil-images/mine/8ei5) | Crystal structure of the WWP2 HECT domain in complex with H301, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, H301, ... | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8EI2
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![BU of 8ei2 by Molmil](/molmil-images/mine/8ei2) | Crystal structure of the N-terminal domain of CUL5 in complex with H314, a Helicon Polypeptide | Descriptor: | Cullin-5, H314, N,N'-(1,4-phenylene)diacetamide | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8EHP
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![BU of 8ehp by Molmil](/molmil-images/mine/8ehp) | Co-crystal structure of Chaetomium glucosidase with compound 13 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EHO
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![BU of 8eho by Molmil](/molmil-images/mine/8eho) | PRRSV-1 PLP2 domain bound to ubiquitin | Descriptor: | 3-AMINOPROPANE, GLYCEROL, NITRATE ION, ... | Authors: | Bailey-Elkin, B.A, Mark, B.L. | Deposit date: | 2022-09-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis. Plos Pathog., 19, 2023
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8EHE
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![BU of 8ehe by Molmil](/molmil-images/mine/8ehe) | |
8EHD
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![BU of 8ehd by Molmil](/molmil-images/mine/8ehd) | Structure of Tannerella forsythia potempin E | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Potempin E (PotE) | Authors: | Gomis-Ruth, F.X. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci, 14, 2023
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8EHC
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![BU of 8ehc by Molmil](/molmil-images/mine/8ehc) | |
8EHA
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![BU of 8eha by Molmil](/molmil-images/mine/8eha) | Cryo-EM structure of his-elemental paused elongation complex with a folded TL and a rotated RH-FL (out) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Kang, J.Y, Chen, J, Llewellyn, E, Landick, R, Darst, S.A. | Deposit date: | 2022-09-14 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ensemble of interconverting conformations of the elemental paused transcription complex creates regulatory options. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EH9
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![BU of 8eh9 by Molmil](/molmil-images/mine/8eh9) | Cryo-EM structure of his-elemental paused elongation complex with a folded TL and a rotated RH-FL (2) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Kang, J.Y, Chen, J, Llewellyn, E, Landick, R, Darst, S.A. | Deposit date: | 2022-09-13 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | An ensemble of interconverting conformations of the elemental paused transcription complex creates regulatory options. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EH8
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![BU of 8eh8 by Molmil](/molmil-images/mine/8eh8) | Cryo-EM structure of his-elemental paused elongation complex with a folded TL and a rotated RH-FL (1) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Kang, J.Y, Chen, J, Llewellyn, E, Landick, R, Darst, S.A. | Deposit date: | 2022-09-13 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An ensemble of interconverting conformations of the elemental paused transcription complex creates regulatory options. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EH5
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![BU of 8eh5 by Molmil](/molmil-images/mine/8eh5) | Cryo-EM structure of L9 Fab in complex with rsCSP | Descriptor: | Circumsporozoite protein, L9 Heavy chain, L9 Light chain | Authors: | Martin, G.M, Ward, A.B. | Deposit date: | 2022-09-13 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structural basis of epitope selectivity and potent protection from malaria by PfCSP antibody L9. Nat Commun, 14, 2023
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8EH1
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![BU of 8eh1 by Molmil](/molmil-images/mine/8eh1) | |
8EH0
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![BU of 8eh0 by Molmil](/molmil-images/mine/8eh0) | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide | Descriptor: | 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 2024
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8EGZ
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![BU of 8egz by Molmil](/molmil-images/mine/8egz) | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate | Descriptor: | 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 2024
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8EGY
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![BU of 8egy by Molmil](/molmil-images/mine/8egy) | Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 2024
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8EGV
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![BU of 8egv by Molmil](/molmil-images/mine/8egv) | Co-crystal structure of Chaetomium glucosidase with compound 12 | Descriptor: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-09-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EGU
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![BU of 8egu by Molmil](/molmil-images/mine/8egu) | Branched chain ketoacid dehydrogenase kinase complexes | Descriptor: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Liu, S. | Deposit date: | 2022-09-13 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors. J.Biol.Chem., 299, 2023
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8EGQ
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![BU of 8egq by Molmil](/molmil-images/mine/8egq) | Branched chain ketoacid dehydrogenase kinase complexes | Descriptor: | (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Liu, S. | Deposit date: | 2022-09-13 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.955 Å) | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors. J.Biol.Chem., 299, 2023
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8EGI
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![BU of 8egi by Molmil](/molmil-images/mine/8egi) | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-09-12 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease. Molecules, 27, 2022
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8EGF
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![BU of 8egf by Molmil](/molmil-images/mine/8egf) | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | Descriptor: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2022-09-12 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors. J.Biol.Chem., 299, 2023
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8EGD
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![BU of 8egd by Molmil](/molmil-images/mine/8egd) | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | Descriptor: | 5-(4-methoxyphenyl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2022-09-12 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors. J.Biol.Chem., 299, 2023
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