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6EQY
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BU of 6eqy by Molmil
4th KOW domain of human hSpt5
Descriptor: Transcription elongation factor SPT5
Authors:Zuber, P.K, Schweimer, K, Roesch, P, Woehrl, B.M.
Deposit date:2017-10-16
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
7S42
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BU of 7s42 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
7S5M
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BU of 7s5m by Molmil
Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
Descriptor: 8-amino-7-oxononanoate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-10
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
to be published
6PAH
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BU of 6pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND L-DOPA (3,4-DIHYDROXYPHENYLALANINE) INHIBITOR
Descriptor: 3,4-DIHYDROXYPHENYLALANINE, FE (III) ION, PHENYLALANINE 4-MONOOXYGENASE
Authors:Erlandsen, H, Flatmark, T, Stevens, R.C.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
4D5L
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BU of 4d5l by Molmil
Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state
Descriptor: 18S RRNA 2, 40S RIBOSOMAL PROTEIN ES1, 40S RIBOSOMAL PROTEIN ES10, ...
Authors:Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T.
Deposit date:2014-11-05
Release date:2015-02-04
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Cryo-Em of Ribosomal 80S Complexes with Termination Factors Reveals the Translocated Cricket Paralysis Virus Ires.
Mol.Cell, 57, 2015
6ERE
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BU of 6ere by Molmil
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3
Descriptor: Immunity, PHOSPHATE ION, colicin
Authors:Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J.
Deposit date:2017-10-18
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
7SDR
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BU of 7sdr by Molmil
Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-29
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
To be Published
4XO0
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BU of 4xo0 by Molmil
Crystal structure of 5'-CTTATPPTAZZATAAG in a host-guest complex
Descriptor: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*T)-3'), DNA (5'-D(P*AP*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), reverse transcriptase
Authors:Georgiadis, M.M, Singh, I.
Deposit date:2015-01-16
Release date:2015-05-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for a six nucleotide genetic alphabet.
J. Am. Chem. Soc., 137, 2015
6ERP
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BU of 6erp by Molmil
Structure of the human mitochondrial transcription initiation complex at the LSP promoter
Descriptor: DNA-directed RNA polymerase, mitochondrial, Dimethyladenosine transferase 2, ...
Authors:Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P.
Deposit date:2017-10-18
Release date:2017-11-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.502 Å)
Cite:Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
6PCA
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BU of 6pca by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase
Descriptor: ACETATE ION, Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
2KMW
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BU of 2kmw by Molmil
Solution structure of At3g03773.1 protein from Arabidopsis thaliana
Descriptor: Uncharacterized protein At3g03773
Authors:Sahu, S.C, Singh, S, Tonelli, M, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-08-05
Release date:2009-10-06
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of At3g03773.1 protein from Arabidopsis thaliana
To be Published
6P6B
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BU of 6p6b by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
Deposit date:2019-06-03
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
6E83
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BU of 6e83 by Molmil
Solution structure of ZZZ3 ZZ domain in complex with histone H3 tail
Descriptor: Histone H3, ZINC ION, ZZ-type zinc finger-containing protein 3
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2018-07-27
Release date:2018-09-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The ZZ-type zinc finger of ZZZ3 modulates the ATAC complex-mediated histone acetylation and gene activation.
Nat Commun, 9, 2018
3KCW
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BU of 3kcw by Molmil
Crystal structure of Ganoderma fungal immunomodulatory protein, GMI
Descriptor: immunomodulatory protein
Authors:Hsu, M.F, Wang, A.H.J, Yang, C.S, Huang, C.T, Hseu, R.S, Lin, C.W, Wu, M.Y, Huang, C.S, Fu, H.Y.
Deposit date:2009-10-22
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single cysteine replacement at Leu6 increase the potent and thermostability in Ganoderma fungal immunomodulatory proteins
To be Published
6EAT
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BU of 6eat by Molmil
Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.
Descriptor: 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G.
Deposit date:2018-08-03
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
6EB2
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BU of 6eb2 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
Descriptor: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
7SB8
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BU of 7sb8 by Molmil
d(GA(CGA)5) parallel-stranded homo-duplex
Descriptor: COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ...
Authors:Luteran, E.M, Paukstelis, P.J.
Deposit date:2021-09-24
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.317 Å)
Cite:The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands.
Acta Crystallogr D Struct Biol, 78, 2022
6PE6
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BU of 6pe6 by Molmil
PANK3 complex structure with compound PZ-3022
Descriptor: 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:White, S.W, Yun, M.
Deposit date:2019-06-20
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pantothenate kinase activation relieves coenzyme A sequestration and improves mitochondrial function in mice with propionic acidemia.
Sci Transl Med, 13, 2021
6PIB
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BU of 6pib by Molmil
Structure of the Klebsiella pneumoniae LpxH-AZ1 complex
Descriptor: 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ...
Authors:Cho, J, Zhou, P.
Deposit date:2019-06-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P02
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BU of 6p02 by Molmil
Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex
Descriptor: 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-16
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
7S7V
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BU of 7s7v by Molmil
Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor
Descriptor: iNicSnFR 3.0 Fluorescent Nicotine Sensor
Authors:Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
6P0K
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BU of 6p0k by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
Descriptor: 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6DZA
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BU of 6dza by Molmil
Solution structure of Rbfox2 RRM mimetic peptide CPfox4
Descriptor: CPfox4
Authors:Sun, Y.-T, Shortridge, M.D, Varani, G.
Deposit date:2018-07-03
Release date:2019-05-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Small Cyclic beta-Hairpin Peptide Mimics the Rbfox2 RNA Recognition Motif and Binds to the Precursor miRNA 20b.
Chembiochem, 20, 2019
6P0O
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BU of 6p0o by Molmil
Crystal structure of GDP-bound human RalA
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6E5H
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BU of 6e5h by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn
Descriptor: Designed peptide NC_HEE_D1: Aib turn mutant
Authors:Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
Deposit date:2018-07-20
Release date:2018-11-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019

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