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8DL2
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BU of 8dl2 by Molmil
BoGH13ASus from Bacteroides ovatus bound to acarbose
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Brown, H.A, DeVeaux, A.L, Koropatkin, N.M.
Deposit date:2022-07-06
Release date:2023-05-24
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
6MG2
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BU of 6mg2 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
7ABT
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BU of 7abt by Molmil
Structure of PPIA in complex with PR dipeptide repeat
Descriptor: PRO-ARG-PRO-ARG-PRO-ARG-PRO-ARG, Peptidyl-prolyl cis-trans isomerase A
Authors:Babu, M, Zweckstetter, M, Becker, S.
Deposit date:2020-09-08
Release date:2021-06-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Proline/arginine dipeptide repeat polymers derail protein folding in amyotrophic lateral sclerosis.
Nat Commun, 12, 2021
7MDI
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BU of 7mdi by Molmil
Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Levitz, T.S, Drennan, C.L, Brignole, E.J.
Deposit date:2021-04-05
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
J.Struct.Biol., 214, 2021
6V4B
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BU of 6v4b by Molmil
DeCLIC N-terminal Domain 34-202
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Neur_chan_LBD domain-containing protein, ...
Authors:Delarue, M, Hu, H.D.
Deposit date:2019-11-27
Release date:2020-06-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UOG
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BU of 6uog by Molmil
Asparaginase II from Escherichia coli
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
Deposit date:2019-10-14
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
7MF3
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BU of 7mf3 by Molmil
Structure of the autoinhibited state of smooth muscle myosin-2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light polypeptide 6, ...
Authors:Heissler, S.M, Arora, A.S, Billington, N, Sellers, J.R, Chinthalapudi, K.
Deposit date:2021-04-08
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of the autoinhibited state of myosin-2.
Sci Adv, 7, 2021
6MEF
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BU of 6mef by Molmil
Crystal structure of broadly neutralizing antibody AR3C
Descriptor: antibody AR3C Heavy Chain, antibody AR3C Light Chain
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
6ZUD
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BU of 6zud by Molmil
Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 3
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
Authors:Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S.
Deposit date:2020-07-22
Release date:2021-06-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis.
Chem Sci, 11, 2020
6P09
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BU of 6p09 by Molmil
Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+
Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
Authors:Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
Deposit date:2019-05-16
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
8DNY
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BU of 8dny by Molmil
Cryo-EM structure of the human Sec61 complex inhibited by decatransin
Descriptor: Decatransin peptide inhibitor, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ...
Authors:Park, E, Itskanov, S.
Deposit date:2022-07-12
Release date:2023-05-24
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
6P0Q
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BU of 6p0q by Molmil
Crystal Structure of Ubiquitin-like Domain of Human WDR12
Descriptor: 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
7A4X
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BU of 7a4x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G.
Deposit date:2020-08-20
Release date:2021-06-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7MFT
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BU of 7mft by Molmil
Glutamate synthase, glutamate dehydrogenase counter-enzyme complex (GudB6-GltA6-GltB6)
Descriptor: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S.
Deposit date:2021-04-11
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
6UP7
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BU of 6up7 by Molmil
neurotensin receptor and arrestin2 complex
Descriptor: ARG-ARG-PRO-TYR-ILE-LEU, Beta-arrestin-1, Neurotensin receptor type 1, ...
Authors:Qu, Q.H, Huang, W, Masureel, M, Janetzko, J, Kobilka, B.K, Skiniotis, G.
Deposit date:2019-10-16
Release date:2020-02-26
Last modified:2020-06-17
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the neurotensin receptor 1 in complex with beta-arrestin 1.
Nature, 579, 2020
6MEL
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BU of 6mel by Molmil
Succinyl-CoA synthase from Campylobacter jejuni
Descriptor: CHLORIDE ION, CITRIC ACID, Succinate--CoA ligase [ADP-forming] subunit beta, ...
Authors:Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Succinyl-CoA synthase from Campylobacter jejuni
to be published
8E60
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BU of 8e60 by Molmil
X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded, manganese-bound state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ray, S, Gaudet, R.
Deposit date:2022-08-22
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:High-resolution structures with bound Mn 2+ and Cd 2+ map the metal import pathway in an Nramp transporter.
Elife, 12, 2023
7M5B
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BU of 7m5b by Molmil
Crystal Structure of human BAK in complex with M3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer, COPPER (II) ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
6P0W
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BU of 6p0w by Molmil
LsfA from P. aeruginosa, a 1-Cys Prx in reduced form
Descriptor: CHLORIDE ION, Putative thiol-specific antioxidant protein
Authors:AIeixo-Silva, R.L, Domingos, R.M, Netto, L.E.S.
Deposit date:2019-05-17
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of LsfA, a 1-Cys Prx in reduced form
To Be Published
6UPZ
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BU of 6upz by Molmil
RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 3
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Wang, D.
Deposit date:2019-10-18
Release date:2020-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
Descriptor: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
7ADN
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BU of 7adn by Molmil
apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant
Descriptor: FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Nguyen, D, You, S, Heine, A, Klebe, G.
Deposit date:2020-09-15
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
8E6I
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BU of 8e6i by Molmil
X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter M230A mutant in an inward-open, manganese-bound state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ray, S, Gaudet, R.
Deposit date:2022-08-22
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:High-resolution structures with bound Mn 2+ and Cd 2+ map the metal import pathway in an Nramp transporter.
Elife, 12, 2023
6ZR8
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BU of 6zr8 by Molmil
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G, D'Ambrosio, K.
Deposit date:2020-07-11
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
6MG7
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BU of 6mg7 by Molmil
Crystal structure of the RV144 C1-C2 specific antibody CH54 Fab in complex with HIV-1 CLADE A/E GP120 and M48U1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CH54 Fab heavy chain, CH54 Fab light chain, ...
Authors:Van, V, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-13
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial.
Mbio, 11, 2020

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