5FUD
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![BU of 5fud by Molmil](/molmil-images/mine/5fud) | Oceanobacillus iheyensis macrodomain with MES bound | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, O-ACETYL-ADP-RIBOSE DEACETYLASE, ... | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | Deposit date: | 2016-01-25 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis ofOceanobacillus iheyensismacrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol, 7, 2017
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7RYP
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![BU of 7ryp by Molmil](/molmil-images/mine/7ryp) | Cryo-EM structure of KIFBP:KIF15 | Descriptor: | KIF-binding protein, Kinesin-like protein KIF15 | Authors: | Solon, A.L, Tan, Z, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A. | Deposit date: | 2021-08-25 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding. Sci Adv, 7, 2021
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6EUJ
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![BU of 6euj by Molmil](/molmil-images/mine/6euj) | The GH43, Beta 1,3 Galactosidase, BT0265 | Descriptor: | Beta-glucanase | Authors: | Cartmell, A, Gilbert, H.J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-17 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
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8E8Z
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![BU of 8e8z by Molmil](/molmil-images/mine/8e8z) | 9H2 Fab-Sabin poliovirus 1 complex | Descriptor: | 9H2 Fab heavy chain, 9H2 Fab light chain, Capsid protein VP1, ... | Authors: | Charnesky, A.J. | Deposit date: | 2022-08-26 | Release date: | 2023-06-21 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | A human monoclonal antibody binds within the poliovirus receptor-binding site to neutralize all three serotypes. Nat Commun, 14, 2023
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5KOJ
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![BU of 5koj by Molmil](/molmil-images/mine/5koj) | Nitrogenase MoFeP protein in the IDS oxidized state | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Owens, C.P, Tezcan, F.A. | Deposit date: | 2016-06-30 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer. J.Am.Chem.Soc., 138, 2016
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8V6H
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![BU of 8v6h by Molmil](/molmil-images/mine/8v6h) | DNA initiation complex (configuration 2) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ... | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-12-01 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (11.11 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
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5KT7
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![BU of 5kt7 by Molmil](/molmil-images/mine/5kt7) | Teranry complex of human DNA polymerase iota(1-445) inserting dCMPNPP opposite template G in the presence of Mn2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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8DLE
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![BU of 8dle by Molmil](/molmil-images/mine/8dle) | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | Descriptor: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | Authors: | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes. J.Am.Chem.Soc., 146, 2024
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5FZ0
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![BU of 5fz0 by Molmil](/molmil-images/mine/5fz0) | Crystal structure of the catalytic domain of human JARID1B in complex with 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide (N08137b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-10 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N11213A To be Published
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6RAI
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![BU of 6rai by Molmil](/molmil-images/mine/6rai) | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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8E8L
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![BU of 8e8l by Molmil](/molmil-images/mine/8e8l) | 9H2 Fab-poliovirus 1 complex | Descriptor: | 9H2 Fab heavy chain, 9H2 Fab light chain, Capsid protein VP1, ... | Authors: | Charnesky, A.J. | Deposit date: | 2022-08-25 | Release date: | 2023-06-21 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | A human monoclonal antibody binds within the poliovirus receptor-binding site to neutralize all three serotypes. Nat Commun, 14, 2023
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8E8S
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![BU of 8e8s by Molmil](/molmil-images/mine/8e8s) | 9H2 Fab-poliovirus 2 complex | Descriptor: | 9H2 Fab heavy chain, 9H2 Fab light chain, Capsid protein VP1, ... | Authors: | Charnesky, A.J. | Deposit date: | 2022-08-25 | Release date: | 2023-06-21 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | A human monoclonal antibody binds within the poliovirus receptor-binding site to neutralize all three serotypes. Nat Commun, 14, 2023
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6F3S
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![BU of 6f3s by Molmil](/molmil-images/mine/6f3s) | The crystal structure of Glycogen Phosphorylase in complex with 10d | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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6RAT
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![BU of 6rat by Molmil](/molmil-images/mine/6rat) | |
4RM7
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![BU of 4rm7 by Molmil](/molmil-images/mine/4rm7) | |
5FMM
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![BU of 5fmm by Molmil](/molmil-images/mine/5fmm) | crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza a virus polymerase PB2 subunit bound to M7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CITRATE ANION, INFLUENZA A PB2 SUBUNIT | Authors: | Thierry, E, Pflug, A, Hart, D, Cusack, S. | Deposit date: | 2015-11-06 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains. Mol.Cell, 61, 2016
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6LAX
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![BU of 6lax by Molmil](/molmil-images/mine/6lax) | the mutant SAM-VI riboswitch (U6C) bound to SAM | Descriptor: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | Authors: | Sun, A, Ren, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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7NFC
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![BU of 7nfc by Molmil](/molmil-images/mine/7nfc) | Cryo-EM structure of NHEJ super-complex (dimer) | Descriptor: | DNA (27-MER), DNA (28-MER), DNA ligase 4, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2021-02-05 | Release date: | 2021-08-18 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Cryo-EM of NHEJ supercomplexes provides insights into DNA repair. Mol.Cell, 81, 2021
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5KR9
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![BU of 5kr9 by Molmil](/molmil-images/mine/5kr9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol | Descriptor: | Coumestrol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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6ARV
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![BU of 6arv by Molmil](/molmil-images/mine/6arv) | Crystal structure of CARM1 with Compound 2 and SAH | Descriptor: | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | Boriack-Sjodin, P.A, Jin, L. | Deposit date: | 2017-08-23 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep, 7, 2017
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6IV1
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![BU of 6iv1 by Molmil](/molmil-images/mine/6iv1) | |
8VJK
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![BU of 8vjk by Molmil](/molmil-images/mine/8vjk) | Structure of mouse RyR1 (high-Ca2+/CFF/ATP dataset) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ... | Authors: | Weninger, G, Marks, A.R. | Deposit date: | 2024-01-07 | Release date: | 2024-01-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural insights into the regulation of RyR1 by S100A1. Proc.Natl.Acad.Sci.USA, 121, 2024
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5G0S
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![BU of 5g0s by Molmil](/molmil-images/mine/5g0s) | InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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7KPH
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![BU of 7kph by Molmil](/molmil-images/mine/7kph) | SARS-CoV-2 Main Protease in mature form | Descriptor: | 3C-like proteinase | Authors: | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | Deposit date: | 2020-11-11 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process. J.Mol.Biol., 433, 2021
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6BEJ
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![BU of 6bej by Molmil](/molmil-images/mine/6bej) | Crystal structure of manganese superoxide dismutase from Xanthomonas citri | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | Authors: | Goto, L.S, Alexandrino, A.V, Pereira, C.M, Mendoca, D.C, Leonardo, D.A, Pereira, H.M, Garratt, R.C, Novo-Mansur, M.T.M. | Deposit date: | 2017-10-25 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | Structural characterization of a pathogenicity-related superoxide dismutase codified by a probably essential gene in Xanthomonas citri subsp. citri. PLoS ONE, 14, 2019
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