9B8P
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![BU of 9b8p by Molmil](/molmil-images/mine/9b8p) | Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3, V1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H+-transporting V1 subunit D, H(+)-transporting two-sector ATPase, ... | Authors: | Coupland, E.M, Rubinstein, J.L. | Deposit date: | 2024-03-31 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles. Science, 385, 2024
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8V3N
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![BU of 8v3n by Molmil](/molmil-images/mine/8v3n) | CCP5 in complex with Glu-P-Glu transition state analog | Descriptor: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, Cytosolic carboxypeptidase-like protein 5, D-MALATE, ... | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2023-11-28 | Release date: | 2024-07-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation. Nature, 2024
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9BG1
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![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
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8V3M
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![BU of 8v3m by Molmil](/molmil-images/mine/8v3m) | CCP5 apo structure | Descriptor: | Cytosolic carboxypeptidase-like protein 5, D-MALATE, IMIDAZOLE, ... | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2023-11-28 | Release date: | 2024-07-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation. Nature, 2024
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8WZX
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![BU of 8wzx by Molmil](/molmil-images/mine/8wzx) | Cryo-EM structure of the hamster prion 23-144 fibril at pH 3.7 | Descriptor: | Major prion protein | Authors: | Lee, C.-H, Saw, J.-E, Chen, E, Wang, C.-H, Chen, R. | Deposit date: | 2023-11-02 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | The Positively Charged Cluster in the N-terminal Disordered Region may Affect Prion Protein Misfolding: Cryo-EM Structure of Hamster PrP(23-144) Fibrils. J.Mol.Biol., 436, 2024
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9AX6
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![BU of 9ax6 by Molmil](/molmil-images/mine/9ax6) | Tricomplex of RMC-6236, KRAS G12D, and CypA | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-03-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
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9BFY
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![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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6DJ5
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![BU of 6dj5 by Molmil](/molmil-images/mine/6dj5) | HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | Deposit date: | 2018-05-24 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DRW
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![BU of 6drw by Molmil](/molmil-images/mine/6drw) | |
6DM7
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![BU of 6dm7 by Molmil](/molmil-images/mine/6dm7) | |
6DLV
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![BU of 6dlv by Molmil](/molmil-images/mine/6dlv) | Cryo-EM of the GTP-bound human dynamin-1 polymer assembled on the membrane in the super constricted state | Descriptor: | Dynamin-1 | Authors: | Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E. | Deposit date: | 2018-06-02 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (10.1 Å) | Cite: | Cryo-EM of the dynamin polymer assembled on lipid membrane. Nature, 560, 2018
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6DUU
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![BU of 6duu by Molmil](/molmil-images/mine/6duu) | |
6DXM
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![BU of 6dxm by Molmil](/molmil-images/mine/6dxm) | |
6DVT
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![BU of 6dvt by Molmil](/molmil-images/mine/6dvt) | |
6E0S
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![BU of 6e0s by Molmil](/molmil-images/mine/6e0s) | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library | Descriptor: | GLYCEROL, MEM-A1, PHOSPHATE ION, ... | Authors: | Stogios, P.J, Skarina, T, Lau, C, Topp, E, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-07-06 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library To Be Published
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6E4A
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![BU of 6e4a by Molmil](/molmil-images/mine/6e4a) | Crystal structure of human BRD4(1) in complex with CN750 | Descriptor: | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K. | Deposit date: | 2018-07-17 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery and lead identification of quinazoline-based BRD4 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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6E5C
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![BU of 6e5c by Molmil](/molmil-images/mine/6e5c) | Solution NMR structure of a de novo designed double-stranded beta-helix | Descriptor: | De novo beta protein | Authors: | Marcos, E, Chidyausiku, T.M, McShan, A, Evangelidis, T, Nerli, S, Sgourakis, N, Tripsianes, K, Baker, D. | Deposit date: | 2018-07-19 | Release date: | 2018-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | De novo design of a non-local beta-sheet protein with high stability and accuracy. Nat. Struct. Mol. Biol., 25, 2018
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6EK6
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![BU of 6ek6 by Molmil](/molmil-images/mine/6ek6) | Crystal structure of KDM5B in complex with S49195a. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | Authors: | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-25 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of KDM5B in complex with S49195a. To be published
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9FSV
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![BU of 9fsv by Molmil](/molmil-images/mine/9fsv) | Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 42 | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-22 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9FST
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![BU of 9fst by Molmil](/molmil-images/mine/9fst) | Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-21 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites To Be Published
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9FT0
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![BU of 9ft0 by Molmil](/molmil-images/mine/9ft0) | Yeast 20S proteasome in complex with epoxyketone inhibitor 42 | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9AT8
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![BU of 9at8 by Molmil](/molmil-images/mine/9at8) | Fab 77-stabilized MeV F ectodomain fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, mAB 77 heavy chain, ... | Authors: | Zyla, D, Saphire, E.O. | Deposit date: | 2024-02-26 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A neutralizing antibody prevents postfusion transition of measles virus fusion protein. Science, 384, 2024
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4S3A
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![BU of 4s3a by Molmil](/molmil-images/mine/4s3a) | IspG in complex with Intermediate I | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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9FT1
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![BU of 9ft1 by Molmil](/molmil-images/mine/9ft1) | Yeast 20S proteasome in complex with epoxyketone inhibitor 13 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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4TLF
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![BU of 4tlf by Molmil](/molmil-images/mine/4tlf) | Crystal structure of Thiol dioxygenase from Pseudomonas aeruginosa | Descriptor: | 3-mercaptopropionate dioxygenase, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | The Cysteine Dioxygenase Homologue from Pseudomonas aeruginosa Is a 3-Mercaptopropionate Dioxygenase. J.Biol.Chem., 290, 2015
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