6VZW
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![BU of 6vzw by Molmil](/molmil-images/mine/6vzw) | TTLL6 bound to the initiation analog | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, T.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2020-02-28 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes. Nat.Struct.Mol.Biol., 27, 2020
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8QCB
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![BU of 8qcb by Molmil](/molmil-images/mine/8qcb) | CryoEM structure of a S. Cerevisiae Ski2387 complex in the open state | Descriptor: | Antiviral helicase SKI2, Antiviral protein SKI8, Superkiller protein 3, ... | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | Deposit date: | 2023-08-25 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly. Mol.Cell, 83, 2023
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6T4C
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![BU of 6t4c by Molmil](/molmil-images/mine/6t4c) | Bovine enterovirus F3 in complex with glutathione | Descriptor: | GLUTATHIONE, GLYCEROL, POTASSIUM ION, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | Deposit date: | 2019-10-13 | Release date: | 2020-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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8DAX
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![BU of 8dax by Molmil](/molmil-images/mine/8dax) | New insights into the P186 flip and oligomeric state of Staphylococcus aureus exfoliative toxin E: implications for the exfoliative mechanism | Descriptor: | Exfoliative toxin E | Authors: | Gismene, C, Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, Santisteban, A.R.N, de Moraes, F.R, Arni, R.K, Mariutti, R.B. | Deposit date: | 2022-06-14 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Staphylococcus aureus Exfoliative Toxin E, Oligomeric State and Flip of P186: Implications for Its Action Mechanism. Int J Mol Sci, 23, 2022
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8QCA
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![BU of 8qca by Molmil](/molmil-images/mine/8qca) | CryoEM structure of a S. Cerevisiae Ski2387 complex in the closed state bound to RNA | Descriptor: | Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ... | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | Deposit date: | 2023-08-25 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly. Mol.Cell, 83, 2023
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8CZA
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![BU of 8cza by Molmil](/molmil-images/mine/8cza) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075 | Descriptor: | 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain testis-specific protein, SODIUM ION | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2022-05-24 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
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6W22
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![BU of 6w22 by Molmil](/molmil-images/mine/6w22) | ClpA Engaged1 State bound to RepA-GFP (ClpA Focused Refinement) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | Deposit date: | 2020-03-04 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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8QFX
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![BU of 8qfx by Molmil](/molmil-images/mine/8qfx) | Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide IPP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gregory, K.S, Acharya, K.R, Cozier, G.E. | Deposit date: | 2023-09-05 | Release date: | 2023-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the inhibitory mechanism of angiotensin-I-converting enzyme by the lactotripeptides IPP and VPP. Febs Lett., 598, 2024
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8Q9T
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![BU of 8q9t by Molmil](/molmil-images/mine/8q9t) | CryoEM structure of a S. Cerevisiae Ski238 complex bound to RNA | Descriptor: | Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ... | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | Deposit date: | 2023-08-21 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly. Mol.Cell, 83, 2023
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8A5V
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![BU of 8a5v by Molmil](/molmil-images/mine/8a5v) | Crystal structure of the human phosposerine aminotransferase (PSAT) | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase, SULFATE ION | Authors: | Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B. | Deposit date: | 2022-06-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase. Protein Sci., 32, 2023
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6T8K
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![BU of 6t8k by Molmil](/molmil-images/mine/6t8k) | Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc product in P1 | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2019-10-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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8VQ4
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![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
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8QND
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![BU of 8qnd by Molmil](/molmil-images/mine/8qnd) | Crystal structure of the ribonucleoside hydrolase C from Lactobacillus reuteri | Descriptor: | CALCIUM ION, Inosine-uridine nucleoside N-ribohydrolase | Authors: | Matyuta, I.O, Minyaev, M.E, Shaposhnikov, L.A, Pometun, E.V, Tishkov, V.I, Popov, V.O, Boyko, K.M. | Deposit date: | 2023-09-26 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Functional Examination of Novel Ribonucleoside Hydrolase C (RihC) from Limosilactobacillus reuteri LR1. Int J Mol Sci, 25, 2023
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6W24
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![BU of 6w24 by Molmil](/molmil-images/mine/6w24) | ClpA Engaged2 State bound to RepA-GFP (Focused Classification) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | Deposit date: | 2020-03-04 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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6T40
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![BU of 6t40 by Molmil](/molmil-images/mine/6t40) | Bovine enterovirus F3 in complex with a Cysteinylglycine dipeptide | Descriptor: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | Deposit date: | 2019-10-11 | Release date: | 2020-08-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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7U32
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![BU of 7u32 by Molmil](/molmil-images/mine/7u32) | MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution | Descriptor: | CALCIUM ION, DNA EV272, DNA EV273, ... | Authors: | Shan, Z, Pye, V.E, Cherepanov, P, Lyumkis, D. | Deposit date: | 2022-02-25 | Release date: | 2022-05-11 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Multivalent interactions essential for lentiviral integrase function. Nat Commun, 13, 2022
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6TCV
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![BU of 6tcv by Molmil](/molmil-images/mine/6tcv) | Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc2Asn substrate | Descriptor: | ASPARAGINE, Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, ... | Authors: | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2019-11-06 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.311 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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5N0G
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![BU of 5n0g by Molmil](/molmil-images/mine/5n0g) | Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | Descriptor: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | Authors: | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | Deposit date: | 2017-02-02 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants To Be Published
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5NHJ
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![BU of 5nhj by Molmil](/molmil-images/mine/5nhj) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHP
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![BU of 5nhp by Molmil](/molmil-images/mine/5nhp) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5N17
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![BU of 5n17 by Molmil](/molmil-images/mine/5n17) | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | Descriptor: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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7QO6
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![BU of 7qo6 by Molmil](/molmil-images/mine/7qo6) | 26S proteasome Rpt1-RK -Ubp6-UbVS complex in the s2 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-03-16 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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6NKP
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![BU of 6nkp by Molmil](/molmil-images/mine/6nkp) | |
7QO5
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![BU of 7qo5 by Molmil](/molmil-images/mine/7qo5) | 26S proteasome Rpt1-RK -Ubp6-UbVS complex in the si state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-03-16 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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8QCF
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![BU of 8qcf by Molmil](/molmil-images/mine/8qcf) | yeast cytoplasmic exosome-Ski2 complex degrading a RNA substrate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Antiviral helicase SKI2, Exosome complex component CSL4, ... | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | Deposit date: | 2023-08-25 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly. Mol.Cell, 83, 2023
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