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8EVZ
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BU of 8evz by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ...
Authors:Pederick, J.L, Woolman, J.C, Bruning, J.B.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
6DKO
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BU of 6dko by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
Descriptor: 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-05-30
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
Descriptor: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2018-06-07
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
8FZ3
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BU of 8fz3 by Molmil
Sterile Alpha Motif of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
Descriptor: CHLORIDE ION, PHOSPHATE ION, Transcription factor ETV6, ...
Authors:Averett, J.C, Nawarathnage, S.D, Moody, J.D.
Deposit date:2023-01-27
Release date:2023-03-29
Method:X-RAY DIFFRACTION (2.784 Å)
Cite:Sterile Alpha Motif of Human Translocation ETS Leukemia, Non-Polymer Crystal Form, With Disordered Human ACK1 UBA Domain Fused to C-terminus
To Be Published
8FWN
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BU of 8fwn by Molmil
Crystal structure of SARS-CoV-2 papain-like protease C111S mutant
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E.
Deposit date:2023-01-23
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease C111S mutant
To Be Published
8G2W
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BU of 8g2w by Molmil
Cryo-EM structure of 3DVA component 2 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
Descriptor: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-06
Release date:2023-06-21
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G7E
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BU of 8g7e by Molmil
Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-16
Release date:2023-06-21
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G00
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BU of 8g00 by Molmil
Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
Descriptor: DNA (31-MER), DNA (39-mer), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-01-31
Release date:2023-06-21
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G1S
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BU of 8g1s by Molmil
Cryo-EM structure of 3DVA component 1 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
Descriptor: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-02
Release date:2023-06-21
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G8Z
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BU of 8g8z by Molmil
Cryo-EM structure of 3DVA component 1 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-MER), ...
Authors:Porta, J.C, Ohi, M.D, Walter, N.G, Frank, A.T, Deb, I, Meze, K.
Deposit date:2023-02-20
Release date:2023-06-21
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G4W
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BU of 8g4w by Molmil
Cryo-EM consensus structure of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-10
Release date:2023-06-21
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8FY3
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BU of 8fy3 by Molmil
Structure of NOT1:NOT10:NOT11 module of the human CCR4-NOT complex
Descriptor: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 10, CCR4-NOT transcription complex subunit 11
Authors:Lea, S.M, Deme, J.C, Raisch, T, Pekovic, F, Valkov, E.
Deposit date:2023-01-25
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structure and assembly of the NOT10:11 module of the CCR4-NOT complex.
Commun Biol, 6, 2023
8FY4
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BU of 8fy4 by Molmil
Structure of NOT1:NOT10:NOT11 module of the chicken CCR4-NOT complex
Descriptor: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 10, CCR4-NOT transcription complex subunit 11
Authors:Lea, S.M, Deme, J.C, Raisch, T, Levdansky, Y, Valkov, E.
Deposit date:2023-01-25
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structure and assembly of the NOT10:11 module of the CCR4-NOT complex.
Commun Biol, 6, 2023
8G8N
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BU of 8g8n by Molmil
CTLA4 Fab with peptide
Descriptor: CYS-PRO-GLY-LYS-GLY-LEU-PRO-SER-CYS, Fab heavy chain, Fab light chain
Authors:Williams, J.C.
Deposit date:2023-02-18
Release date:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:XTX101, a tumor-activated, Fc-enhanced anti-CTLA-4 monoclonal antibody, demonstrates tumor-growth inhibition and tumor-selective pharmacodynamics in mouse models of cancer.
J Immunother Cancer, 11, 2023
8FWO
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BU of 8fwo by Molmil
Crystal structure of SARS-CoV-2 papain-like protease
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E.
Deposit date:2023-01-23
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease
To Be Published
8GIA
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BU of 8gia by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr
Descriptor: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate
Authors:Wallace, S.D, Bagde, S.R, Fromme, J.C.
Deposit date:2023-03-13
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain.
Acs Chem.Biol., 18, 2023
8GMH
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BU of 8gmh by Molmil
Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4
Descriptor: 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ...
Authors:Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C.
Deposit date:2023-03-25
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
8GLJ
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BU of 8glj by Molmil
The Type 9 Secretion System in vitro assembled, FspA-CTD substrate bound complex
Descriptor: Lauryl Maltose Neopentyl Glycol, Peptidyl-prolyl cis-trans isomerase, Por secretion system C-terminal sorting domain-containing protein, ...
Authors:Deme, J.C, Lea, S.M.
Deposit date:2023-03-22
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The Type 9 Secretion System caught in the act of transport
Nat Microbiol, 2024
8GLK
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BU of 8glk by Molmil
The Type 9 Secretion System dGldL peak II, NucA substrate bound complex
Descriptor: Endonuclease I, Lauryl Maltose Neopentyl Glycol, Peptidyl-prolyl cis-trans isomerase, ...
Authors:Deme, J.C, Lea, S.M.
Deposit date:2023-03-22
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The Type 9 Secretion System caught in the act of transport
Nat Microbiol, 2024
8GLM
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BU of 8glm by Molmil
The Type 9 Secretion System in vivo assembled, RemZ substrate bound complex - conformation 1
Descriptor: Lauryl Maltose Neopentyl Glycol, Peptidyl-prolyl cis-trans isomerase, Protein involved in gliding motility SprA, ...
Authors:Deme, J.C, Lea, S.M.
Deposit date:2023-03-22
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The Type 9 Secretion System caught in the act of transport
Nat Microbiol, 2024
8GLN
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BU of 8gln by Molmil
The Type 9 Secretion System in vivo assembled, RemZ substrate bound complex - conformation 2
Descriptor: Lauryl Maltose Neopentyl Glycol, Peptidyl-prolyl cis-trans isomerase, Protein involved in gliding motility SprA, ...
Authors:Deme, J.C, Lea, S.M.
Deposit date:2023-03-22
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The Type 9 Secretion System caught in the act of transport
Nat Microbiol, 2024
8GL6
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BU of 8gl6 by Molmil
The Type 9 Secretion System in vitro assembled, RemA-CTD substrate bound complex
Descriptor: Lauryl Maltose Neopentyl Glycol, Peptidyl-prolyl cis-trans isomerase, Protein involved in gliding motility SprA, ...
Authors:Deme, J.C, Lea, S.M.
Deposit date:2023-03-21
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The Type 9 Secretion System caught in the act of transport
Nat Microbiol, 2024
8GL8
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BU of 8gl8 by Molmil
The Type 9 Secretion System Extended Translocon - SprA-PorV-PPI-RemZ-SkpA-SprE complex
Descriptor: Lauryl Maltose Neopentyl Glycol, Peptidyl-prolyl cis-trans isomerase, Periplasmic chaperone for outer membrane proteins Skp, ...
Authors:Deme, J.C, Lea, S.M.
Deposit date:2023-03-21
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The Type 9 Secretion System caught in the act of transport
Nat Microbiol, 2024
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
1KBA
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BU of 1kba by Molmil
CRYSTAL STRUCTURE OF KAPPA-BUNGAROTOXIN AT 2.3-ANGSTROM RESOLUTION
Descriptor: KAPPA-BUNGAROTOXIN
Authors:Dewan, J.C, Grant, G.A, Sacchettini, J.C.
Deposit date:1994-07-13
Release date:1994-12-20
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of kappa-bungarotoxin at 2.3-A resolution.
Biochemistry, 33, 1994

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