5FJJ
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![BU of 5fjj by Molmil](/molmil-images/mine/5fjj) | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | Deposit date: | 2015-10-09 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases Acta Crystallogr.,Sect.D, 72, 2016
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8V6V
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![BU of 8v6v by Molmil](/molmil-images/mine/8v6v) | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | Deposit date: | 2023-12-03 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking. Nat Commun, 15, 2024
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5M22
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![BU of 5m22 by Molmil](/molmil-images/mine/5m22) | Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 | Descriptor: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Ferraroni, M, Da Vela, S, Scozzafava, A, Kolvenbach, B, Corvini, P.F.X. | Deposit date: | 2016-10-11 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes. Biochim. Biophys. Acta, 1865, 2017
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5FOA
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![BU of 5foa by Molmil](/molmil-images/mine/5foa) | Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4) | Descriptor: | COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA CHAIN, DECAY ACCELERATING FACTOR, ... | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | Deposit date: | 2015-11-18 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.188 Å) | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode. Embo J., 35, 2016
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7QNL
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![BU of 7qnl by Molmil](/molmil-images/mine/7qnl) | LOV2-DARPIN FUSION - D4_DeltaLOV | Descriptor: | DARPIN, SULFATE ION | Authors: | Mittl, P. | Deposit date: | 2021-12-21 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | LOV2-DARPIN FUSION - D4_DeltaLOV To Be Published
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6R4C
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![BU of 6r4c by Molmil](/molmil-images/mine/6r4c) | Aurora-A in complex with shape-diverse fragment 57 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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5LRM
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![BU of 5lrm by Molmil](/molmil-images/mine/5lrm) | Structure of di-zinc MCR-1 in P41212 space group | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
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3JCA
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![BU of 3jca by Molmil](/molmil-images/mine/3jca) | Core model of the Mouse Mammary Tumor Virus intasome | Descriptor: | 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ... | Authors: | Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016
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6FK4
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![BU of 6fk4 by Molmil](/molmil-images/mine/6fk4) | Structure of 3' phosphatase NExo (WT) from Neisseria bound to DNA substrate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*GP*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), Exodeoxyribonuclease III | Authors: | Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S. | Deposit date: | 2018-01-23 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis. Nucleic Acids Res., 46, 2018
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5JNX
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![BU of 5jnx by Molmil](/molmil-images/mine/5jnx) | The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... | Authors: | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N. | Deposit date: | 2016-05-01 | Release date: | 2016-06-15 | Last modified: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (6.56 Å) | Cite: | Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection Cell, 165, 2016
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7Q97
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![BU of 7q97 by Molmil](/molmil-images/mine/7q97) | Structure of the bacterial type VI secretion system effector RhsA. | Descriptor: | Rhs family protein | Authors: | Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S. | Deposit date: | 2021-11-12 | Release date: | 2021-12-22 | Last modified: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of a bacterial Rhs effector exported by the type VI secretion system. Plos Pathog., 18, 2022
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6MZZ
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![BU of 6mzz by Molmil](/molmil-images/mine/6mzz) | Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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5LV5
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![BU of 5lv5 by Molmil](/molmil-images/mine/5lv5) | Crystal structure of mouse PRMT6 in complex with inhibitor LH1458 | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6 | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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6BNA
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![BU of 6bna by Molmil](/molmil-images/mine/6bna) | BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3'), NETROPSIN | Authors: | Kopka, M.L, Yoon, C, Goodsell, D, Pjura, P, Dickerson, R.E. | Deposit date: | 1984-08-30 | Release date: | 1984-10-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G. J.Mol.Biol., 183, 1985
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6BNQ
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![BU of 6bnq by Molmil](/molmil-images/mine/6bnq) | |
7QO7
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![BU of 7qo7 by Molmil](/molmil-images/mine/7qo7) | SARS-CoV-2 S Omicron Spike B.1.1.529 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
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5FST
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![BU of 5fst by Molmil](/molmil-images/mine/5fst) | Structure of lysozyme prepared by the 'soak-and-freeze' method under 100 bar of krypton pressure | Descriptor: | CHLORIDE ION, KRYPTON, LYSOZYME C, ... | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | Deposit date: | 2016-01-07 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology. J.Appl.Crystallogr., 49, 2016
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7L5W
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![BU of 7l5w by Molmil](/molmil-images/mine/7l5w) | p97-R155H mutant dodecamer I | Descriptor: | Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L. | Deposit date: | 2020-12-23 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes. Int J Mol Sci, 22, 2021
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7ZLQ
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![BU of 7zlq by Molmil](/molmil-images/mine/7zlq) | |
7QNO
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![BU of 7qno by Molmil](/molmil-images/mine/7qno) | Crystal structure of ligand-free Danio rerio HDAC6 CD1 CD2 | Descriptor: | GLYCEROL, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Kempf, G, Langousis, G, Sanchez, J, Matthias, P. | Deposit date: | 2021-12-21 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Expression and Crystallization of HDAC6 Tandem Catalytic Domains. Methods Mol.Biol., 2589, 2023
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6R4B
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![BU of 6r4b by Molmil](/molmil-images/mine/6r4b) | Aurora-A in complex with shape-diverse fragment 56 | Descriptor: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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7QBS
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![BU of 7qbs by Molmil](/molmil-images/mine/7qbs) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, S-adenosyl-L-methionine, and peptide bound. | Descriptor: | CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ... | Authors: | Bernardo-Garcia, N, Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.327 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
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3KH2
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![BU of 3kh2 by Molmil](/molmil-images/mine/3kh2) | Crystal structure of the P1 bacteriophage Doc toxin (F68S) in complex with the Phd antitoxin (L17M/V39A). Northeast Structural Genomics targets ER385-ER386 | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Death on curing protein, ... | Authors: | Arbing, M.A, Kuzin, A.P, Su, M, Abashidze, M, Verdon, G, Liu, M, Xiao, R, Acton, T, Inouye, M, Montelione, G.T, Woychik, N.A, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-29 | Release date: | 2010-08-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems. Structure, 18, 2010
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5MGI
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![BU of 5mgi by Molmil](/molmil-images/mine/5mgi) | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | Deposit date: | 2016-11-21 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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5FZM
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![BU of 5fzm by Molmil](/molmil-images/mine/5fzm) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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