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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6NT1
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![BU of 6nt1 by Molmil](/molmil-images/mine/6nt1) | Catalase 3 from N.Crassa in ferrous state (2.89 MGy) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | Deposit date: | 2019-01-27 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
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7UN4
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![BU of 7un4 by Molmil](/molmil-images/mine/7un4) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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7B3N
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![BU of 7b3n by Molmil](/molmil-images/mine/7b3n) | AmiP amidase-3 from Thermus parvatiensis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cell wall hydrolase, ... | Authors: | Freitag-Pohl, S, Pohl, E. | Deposit date: | 2020-12-01 | Release date: | 2022-06-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase. Protein Sci., 32, 2023
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7UMU
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![BU of 7umu by Molmil](/molmil-images/mine/7umu) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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6NNV
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![BU of 6nnv by Molmil](/molmil-images/mine/6nnv) | PD-L1 IgV domain complex with macro-cyclic peptide | Descriptor: | Programmed cell death 1 ligand 1, macrocyclic peptide | Authors: | Zhao, B, Perry, E. | Deposit date: | 2019-01-15 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6W21
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![BU of 6w21 by Molmil](/molmil-images/mine/6w21) | ClpAP Engaged2 State bound to RepA-GFP | 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: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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7NW3
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![BU of 7nw3 by Molmil](/molmil-images/mine/7nw3) | X-ray crystallographic study of PIYDIN, which contains the truncation determinants of binding PI and N, bound to RoAb13, a CCR5 antibody | Descriptor: | Antibody RoAb13 Heavy Chain, Antibody RoAb13 Light Chain, Region from C-C chemokine receptor type 5 N-terminal domain | Authors: | Saridakis, E, Helliwell, J.R, Govada, L, Chayen, N.E. | Deposit date: | 2021-03-16 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.200011 Å) | Cite: | X-ray crystallographic studies of RoAb13 bound to PIYDIN, a part of the N-terminal domain of C-C chemokine receptor 5. Iucrj, 8, 2021
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4WUZ
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![BU of 4wuz by Molmil](/molmil-images/mine/4wuz) | Crystal structure of lambda exonuclease in complex with DNA and Ca2+ | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*T*TP*CP*GP*GP*TP*AP*CP*AP*GP*TP*AP*G)-3'), DNA (5'-D(P*AP*GP*CP*TP*AP*CP*TP*GP*TP*AP*CP*CP*GP*A)-3'), ... | Authors: | Zhang, J, Bell, C.E. | Deposit date: | 2014-11-04 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of lambda Exonuclease in Complex with DNA and Ca(2+). Biochemistry, 53, 2014
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8QG0
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![BU of 8qg0 by Molmil](/molmil-images/mine/8qg0) | Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target | Descriptor: | AfAgo-N protein, DNA target 17 nt, Piwi protein, ... | Authors: | Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A. | Deposit date: | 2023-09-05 | Release date: | 2024-01-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein. Nucleic Acids Res., 52, 2024
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8PNT
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![BU of 8pnt by Molmil](/molmil-images/mine/8pnt) | Structure of the human nuclear cap-binding complex bound to PHAX and m7G-capped RNA | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | Authors: | Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J. | Deposit date: | 2023-07-01 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex. Cell Rep, 43, 2024
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6XNP
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![BU of 6xnp by Molmil](/molmil-images/mine/6xnp) | Crystal Structure of Human STING CTD complex with SR-717 | Descriptor: | 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ... | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
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5N9T
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![BU of 5n9t by Molmil](/molmil-images/mine/5n9t) | Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor | Descriptor: | 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one, GLYCEROL, SULFATE ION, ... | Authors: | Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H. | Deposit date: | 2017-02-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and characterization of highly potent and selective allosteric USP7 inhibitors. Nat. Chem. Biol., 14, 2018
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8CW2
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![BU of 8cw2 by Molmil](/molmil-images/mine/8cw2) | Crystal structure of TDP1 complexed with compound XZ760 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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5IRV
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![BU of 5irv by Molmil](/molmil-images/mine/5irv) | Human cytochrome P450 17A1 bound to inhibitor VT-464 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2016-03-14 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.098 Å) | Cite: | Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
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8CVQ
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![BU of 8cvq by Molmil](/molmil-images/mine/8cvq) | Crystal structure of TDP1 complexed with compound XZ761 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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7A17
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![BU of 7a17 by Molmil](/molmil-images/mine/7a17) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-12 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
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6NO5
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![BU of 6no5 by Molmil](/molmil-images/mine/6no5) | |
6NWY
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![BU of 6nwy by Molmil](/molmil-images/mine/6nwy) | Modified tRNA(Pro) bound to Thermus thermophilus 70S (near-cognate) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | Deposit date: | 2019-02-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing. Elife, 9, 2020
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7QAN
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![BU of 7qan by Molmil](/molmil-images/mine/7qan) | Cytochrome P450 Enzyme AbyV | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... | Authors: | Parnell, A.E, Back, C.R, Race, P.R. | Deposit date: | 2021-11-17 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
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6NM7
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![BU of 6nm7 by Molmil](/molmil-images/mine/6nm7) | PD-L1 IgV domain bound to fragment | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, Programmed cell death 1 ligand 1 | Authors: | Perry, E, Zhao, B. | Deposit date: | 2019-01-10 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.426 Å) | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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5LRX
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![BU of 5lrx by Molmil](/molmil-images/mine/5lrx) | Structure of A20 OTU domain bound to ubiquitin | Descriptor: | Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3 | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | Deposit date: | 2016-08-22 | Release date: | 2016-10-19 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne. Nature, 538, 2016
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8FQC
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![BU of 8fqc by Molmil](/molmil-images/mine/8fqc) | Structure of baseplate with receptor binding complex of Agrobacterium phage Milano | Descriptor: | Baseplate Centerpiece, gp25, Baseplate Central Spike, ... | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | Deposit date: | 2023-01-05 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano. Nat Commun, 15, 2024
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5LVP
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![BU of 5lvp by Molmil](/molmil-images/mine/5lvp) | Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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6NT0
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![BU of 6nt0 by Molmil](/molmil-images/mine/6nt0) | Catalase 3 from N.Crassa in ferrous state, X-ray reduced (1.315 MGy) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | Deposit date: | 2019-01-27 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
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