6X6A
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![BU of 6x6a by Molmil](/molmil-images/mine/6x6a) | Cryo-EM structure of NLRP1-DPP9 complex | Descriptor: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1 | Authors: | Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. | Deposit date: | 2020-05-27 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
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8CTI
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![BU of 8cti by Molmil](/molmil-images/mine/8cti) | Cryo-EM structure of human METTL1-WDR4-tRNA(Val) complex | Descriptor: | tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4, tRNA-Val-TAC-2-1 | Authors: | Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fischer, E.S, Gregory, R.I. | Deposit date: | 2022-05-14 | Release date: | 2022-12-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4. Nature, 613, 2023
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7TPG
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![BU of 7tpg by Molmil](/molmil-images/mine/7tpg) | Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its ligand bound state | Descriptor: | Fab Heavy (H) Chain, Fab Light (L) Chain, GERANYL DIPHOSPHATE, ... | Authors: | Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F. | Deposit date: | 2022-01-25 | Release date: | 2022-04-06 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural basis of lipopolysaccharide maturation by the O-antigen ligase. Nature, 604, 2022
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7TPJ
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![BU of 7tpj by Molmil](/molmil-images/mine/7tpj) | Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its apo state | Descriptor: | Fab Heavy (H) Chain, Fab Light (L) Chain, Putative cell surface polysaccharide polymerase/ligase | Authors: | Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F. | Deposit date: | 2022-01-25 | Release date: | 2022-04-06 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of lipopolysaccharide maturation by the O-antigen ligase. Nature, 604, 2022
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8ADK
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![BU of 8adk by Molmil](/molmil-images/mine/8adk) | |
8ADJ
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![BU of 8adj by Molmil](/molmil-images/mine/8adj) | Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272 | Descriptor: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ariza, A, Fontana, P. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.508 Å) | Cite: | Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling. Nat Commun, 14, 2023
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6XKJ
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![BU of 6xkj by Molmil](/molmil-images/mine/6xkj) | Cryo-EM structure of CARD8-CARD filament | Descriptor: | Caspase recruitment domain-containing protein 8 | Authors: | Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H. | Deposit date: | 2020-06-26 | Release date: | 2020-11-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes. Nat Commun, 12, 2021
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1Z8S
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![BU of 1z8s by Molmil](/molmil-images/mine/1z8s) | DnaB binding domain of DnaG (P16) from Bacillus stearothermophilus (residues 452-597) | Descriptor: | DNA primase | Authors: | Syson, K, Thirlway, J, Hounslow, A.M, Soultanas, P, Waltho, J.P. | Deposit date: | 2005-03-31 | Release date: | 2005-10-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the helicase-interaction domain of the primase DnaG: a model for helicase activation Structure, 13, 2005
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6GF3
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![BU of 6gf3 by Molmil](/molmil-images/mine/6gf3) | Tubulin-Jerantinine B acetate complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | Deposit date: | 2018-04-29 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site. Sci Rep, 8, 2018
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3R5W
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![BU of 3r5w by Molmil](/molmil-images/mine/3r5w) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | Descriptor: | COENZYME F420, Deazaflavin-dependent nitroreductase | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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2M6I
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![BU of 2m6i by Molmil](/molmil-images/mine/2m6i) | Putative pentameric open-channel structure of full-length transmembrane domains of human glycine receptor alpha1 subunit | Descriptor: | Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit | Authors: | Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y. | Deposit date: | 2013-03-29 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain. Structure, 21, 2013
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8F4V
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![BU of 8f4v by Molmil](/molmil-images/mine/8f4v) | Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Neuronal acetylcholine receptor subunit alpha-7 | Authors: | Bondarenko, V, Chen, Q, Tang, P. | Deposit date: | 2022-11-11 | Release date: | 2023-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Elucidation of Ivermectin Binding to alpha 7nAChR and the Induced Channel Desensitization. Acs Chem Neurosci, 14, 2023
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2M6B
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![BU of 2m6b by Molmil](/molmil-images/mine/2m6b) | Structure of full-length transmembrane domains of human glycine receptor alpha1 monomer subunit | Descriptor: | Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit | Authors: | Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y. | Deposit date: | 2013-03-28 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain. Structure, 21, 2013
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7NNP
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![BU of 7nnp by Molmil](/molmil-images/mine/7nnp) | Rb-loaded cryo-EM structure of the E1-ATP KdpFABC complex. | Descriptor: | CARDIOLIPIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Silberberg, J.M, Corey, R.A, Hielkema, L, Stock, C, Stansfeld, P.J, Paulino, C, Haenelt, I. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC. Nat Commun, 12, 2021
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7NNL
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![BU of 7nnl by Molmil](/molmil-images/mine/7nnl) | Cryo-EM structure of the KdpFABC complex in an E1-ATP conformation loaded with K+ | Descriptor: | CARDIOLIPIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Silberberg, J.M, Corey, R.A, Hielkema, L, Stock, C, Stansfeld, P.J, Paulino, C, Haenelt, I. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC. Nat Commun, 12, 2021
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2BRG
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![BU of 2brg by Molmil](/molmil-images/mine/2brg) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-05 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2BR1
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![BU of 2br1 by Molmil](/molmil-images/mine/2br1) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-04-29 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2BRM
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![BU of 2brm by Molmil](/molmil-images/mine/2brm) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-09 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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6UJ8
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![BU of 6uj8 by Molmil](/molmil-images/mine/6uj8) | Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ... | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | Deposit date: | 2019-10-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat Commun, 12, 2021
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6UJ9
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![BU of 6uj9 by Molmil](/molmil-images/mine/6uj9) | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B. | Deposit date: | 2019-10-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat Commun, 12, 2021
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6UJ7
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![BU of 6uj7 by Molmil](/molmil-images/mine/6uj7) | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | Deposit date: | 2019-10-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat Commun, 12, 2021
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2BRN
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![BU of 2brn by Molmil](/molmil-images/mine/2brn) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-09 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2C3L
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![BU of 2c3l by Molmil](/molmil-images/mine/2c3l) | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | Descriptor: | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | Deposit date: | 2005-10-10 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14, 2006
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2BRO
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![BU of 2bro by Molmil](/molmil-images/mine/2bro) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-09 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2BRH
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![BU of 2brh by Molmil](/molmil-images/mine/2brh) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-05 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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