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6XP9
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BU of 6xp9 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1
Descriptor: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
Authors:Khan, J.A.
Deposit date:2020-07-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 30, 2020
5LWX
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BU of 5lwx by Molmil
Crystal structure of the H253D mutant of McoG from Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H.
Deposit date:2016-09-19
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
6XVU
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BU of 6xvu by Molmil
Bacteriophytochrome response regulator from Deinococcus radiodurans
Descriptor: CALCIUM ION, Response regulator
Authors:Takala, H, Ihalainen, J.A.
Deposit date:2020-01-22
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparative analysis of two paradigm bacteriophytochromes reveals opposite functionalities in two-component signaling.
Nat Commun, 12, 2021
5LTV
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BU of 5ltv by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECPETOR PCTC IN COMPLEX WITH GABA
Descriptor: ACETATE ION, Chemotactic transducer PctC, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5M7O
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BU of 5m7o by Molmil
Crystal structure of NtrX from Brucella abortus processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: MAGNESIUM ION, Nitrogen assimilation regulatory protein
Authors:Cornaciu, I, Fernandez, I, Hoffmann, G, Carrica, M.C, Goldbaum, F.A, Marquez, J.A.
Deposit date:2016-10-28
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-Dimensional Structure of Full-Length NtrX, an Unusual Member of the NtrC Family of Response Regulators.
J. Mol. Biol., 429, 2017
8GHS
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BU of 8ghs by Molmil
Empty HBV Cp183 capsid with importin-beta, subparticle reconstruction at 2-fold location
Descriptor: Capsid protein
Authors:Kim, C, Schlicksup, C.J, Hadden-Perilla, J.A, Wang, J.C.-Y, Zlotnick, A.
Deposit date:2023-03-10
Release date:2023-08-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the Hepatitis B virus capsid quasi-6-fold with a trapped C-terminal domain reveals capsid movements associated with domain exit.
J.Biol.Chem., 299, 2023
8GJ9
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BU of 8gj9 by Molmil
RAD51C N-terminal domain
Descriptor: RAD51C, ZINC ION
Authors:Arvai, A.S, Tainer, J.A, Williams, G.
Deposit date:2023-03-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJA
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BU of 8gja by Molmil
RAD51C-XRCC3 structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ...
Authors:Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A.
Deposit date:2023-03-15
Release date:2023-08-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
5NBV
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BU of 5nbv by Molmil
Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations
Descriptor: Alpha-1-antitrypsin, GLYCEROL
Authors:Huntington, J.A, Pomowski, A, Johnson, D.J.D.
Deposit date:2017-03-02
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:CRYSTAL STRUCTURE OF THE Z VARIANT OF ALPHA-1-ANTITRYPSIN REVEALS STRUCTURAL AND DYNAMICAL CHANGES AND SUPPORTS A C-TERMINAL DOMAIN SWAP MECHANISM OF POLYMERIZATION
To Be Published
8G2V
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BU of 8g2v by Molmil
Cryo-EM structure of recombinant human LECT2 amyloid fibril core
Descriptor: Leukocyte cell-derived chemotaxin-2
Authors:Richards, L.S, Flores, M.D, Zink, S, Schibrowsky, N.A, Sawaya, M.R, Rodriguez, J.A.
Deposit date:2023-02-06
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.715 Å)
Cite:Cryo-EM structure of a human LECT2 amyloid fibril reveals a network of polar ladders at its core.
Structure, 31, 2023
5NFQ
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BU of 5nfq by Molmil
Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ...
Authors:Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D.
Deposit date:2017-03-15
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Front Bioeng Biotechnol, 6, 2018
8GJ8
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BU of 8gj8 by Molmil
RAD51C C-terminal domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
Authors:Arvai, A.S, Tainer, J.A, Williams, G.
Deposit date:2023-03-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
5NM9
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BU of 5nm9 by Molmil
Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site.
Descriptor: DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2017-04-05
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
6XJY
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BU of 6xjy by Molmil
Crystal structure of a self-alkylating ribozyme - short time incubation with the epoxide substrate
Descriptor: Fab HAVx Heavy Chain, Fab HAVx Light Chain, Self-alkylating ribozyme (58-MER)
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6XJQ
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BU of 6xjq by Molmil
Crystal structure of a self-alkylating ribozyme - alkylated form with biotinylated epoxide substrate
Descriptor: 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ...
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
3T64
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BU of 3t64 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
6XJZ
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BU of 6xjz by Molmil
Crystal structure of a self-alkylating ribozyme - apo form
Descriptor: Fab HAVx Heavy Chain, Fab HAVx Light Chain, Self-alkylating ribozyme (58-MER)
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6XJW
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BU of 6xjw by Molmil
Crystal structure of a self-alkylating ribozyme - alkylated form without biotin moiety
Descriptor: 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ...
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6XTT
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BU of 6xtt by Molmil
Solution structure of Legionella pneumophila NttA
Descriptor: NttA
Authors:Portlock, T.J, Garnett, J.A.
Deposit date:2020-01-16
Release date:2020-07-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
6Y0G
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BU of 6y0g by Molmil
Structure of human ribosome in classical-PRE state
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
Deposit date:2020-02-07
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
6Y41
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BU of 6y41 by Molmil
Fibrinogen-like globe domain of human ANGPTL2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ...
Authors:Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fibrinogen-like globe domain of human ANGPTL2
To Be Published
5MQZ
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BU of 5mqz by Molmil
Archaeal branched-chain amino acid aminotransferase from Archaeoglobus fulgidus; holoform
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:James, P, Isupov, M.N, Sayer, C, Littlechild, J.A, Sutter, J.M, Schmidt, M, Schoenheit, P.
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization.
Front Bioeng Biotechnol, 7, 2019
6X89
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BU of 6x89 by Molmil
Vigna radiata mitochondrial complex I*
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Letts, J.A, Maldonado, M, Padavannil, A, Zhou, L, Guo, F.
Deposit date:2020-06-01
Release date:2020-09-02
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic structure of a mitochondrial complex I intermediate from vascular plants.
Elife, 9, 2020
5M18
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BU of 5m18 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
6WH2
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BU of 6wh2 by Molmil
Structure of the C-terminal BRCT domain of human XRCC1
Descriptor: X-ray repair cross complementing protein 1 variant
Authors:Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K.
Deposit date:2020-04-07
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021

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