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8U69
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Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-chloro-5-(4-chloro-2-(2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)benzonitrile (JLJ334), a non-nucleoside inhibitor
Descriptor: 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U66
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Firmicutes Rubisco
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Rubisco
Authors:Kaeser, B.P, Liu, A.K, Shih, P.M.
Deposit date:2023-09-13
Release date:2023-11-22
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Deep-branching evolutionary intermediates reveal structural origins of form I rubisco.
Curr.Biol., 33, 2023
8U61
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BU of 8u61 by Molmil
Human RADX tetramer bound to ssDNA
Descriptor: RPA-related protein RADX, dT25 DNA (25-MER)
Authors:Balakrishnan, S, Chazin, W.J.
Deposit date:2023-09-13
Release date:2024-01-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of RADX and mechanism for regulation of RAD51 nucleofilaments.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U60
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BU of 8u60 by Molmil
Structure of Mango II variant2 aptamer bound to T01-6A
Descriptor: 2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole, POTASSIUM ION, RNA Mango II variant 2 aptamer
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-13
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of Mango II variant2 aptamer bound to T01-6A
To Be Published
8U5Z
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Structure of Mango II variant aptamer bound to T01-7M-B
Descriptor: 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, Mango II variant, POTASSIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-13
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Mango II variant aptamer bound to T01-7M-B
To Be Published
8U5Y
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BU of 8u5y by Molmil
human RADX trimer bound to ssDNA
Descriptor: DNA (25-MER), RPA-related protein RADX
Authors:Balakrishnan, S, Chazin, W.J.
Deposit date:2023-09-13
Release date:2023-10-11
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structure of RADX and mechanism for regulation of RAD51 nucleofilaments.
Biorxiv, 2023
8U5T
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BU of 8u5t by Molmil
Structure of Mango II variant aptamer bound to T01-6A-B
Descriptor: 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium, Mango II variant, POTASSIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-12
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Mango II variant aptamer bound to T01-6A-B
To Be Published
8U5R
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BU of 8u5r by Molmil
Structure of Mango II variant aptamer bound to T01-6A
Descriptor: Mango II variant, POTASSIUM ION, SODIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-12
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Mango II variant aptamer bound to T01-6A
To Be Published
8U5P
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BU of 8u5p by Molmil
Structure of Mango II aptamer bound to T01-6A-B
Descriptor: 3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium, Mango II, POTASSIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-12
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Mango II aptamer bound to T01-6A-B
To Be Published
8U5M
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BU of 8u5m by Molmil
Structure of Sts-1 HP domain with rebamipide
Descriptor: Rebamipide, Ubiquitin-associated and SH3 domain-containing protein B
Authors:Azia, F, Dey, R, French, J.B.
Deposit date:2023-09-12
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
8U5K
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BU of 8u5k by Molmil
Structure of Mango II aptamer bound to T01-6A
Descriptor: 2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole, Mango II, POTASSIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-12
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Mango II aptamer bound to T01-6A
To Be Published
8U5J
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BU of 8u5j by Molmil
Structure of Mango III variant aptamer bound to T01-07M-B
Descriptor: 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, DIMETHYL SULFOXIDE, Mango III variant, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2023-09-12
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Mango III variant aptamer bound to T01-07M-B
To Be Published
8U5H
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BU of 8u5h by Molmil
Cryo-EM structure of human DNMT3A UDR bound to H2AK119ub1-modified nucleosome
Descriptor: DNA (cytosine-5)-methyltransferase 3A, Histone H2A, Histone H2B 1.1, ...
Authors:Chen, X, Song, J.
Deposit date:2023-09-12
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cryo-EM structure of human DNMT3A N-terminal domain bound to H2AK119Ub nucleosome
To Be Published
8U5G
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BU of 8u5g by Molmil
Crystal structure of the co-expressed SDS22:PP1:I3 complex
Descriptor: E3 ubiquitin-protein ligase PPP1R11, FE (III) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2023-09-12
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The SDS22:PP1:I3 complex: SDS22 binding to PP1 loosens the active site metal to prime metal exchange.
J.Biol.Chem., 300, 2023
8U5F
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BU of 8u5f by Molmil
Crystal Structure of Trypsinized Clostridium perfringens Enterotoxin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Kapoor, S, Ogbu, C.P, Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-09-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin.
Toxins, 15, 2023
8U5E
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BU of 8u5e by Molmil
Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 21 21 21
Descriptor: ACETATE ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Kapoor, S, Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin.
Toxins, 15, 2023
8U5D
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BU of 8u5d by Molmil
Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 41 21 2
Descriptor: ACETATE ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Kapoor, S, Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin.
Toxins, 15, 2023
8U5B
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BU of 8u5b by Molmil
Cryo-EM structure of human claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain and sFab COP-1
Descriptor: COP-1 sFab Heavy Chain, COP-1 sFab Light Chain, Claudin-4, ...
Authors:Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-09-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Structural and biophysical insights into targeting of claudin-4 by a synthetic antibody fragment
Commun Biol, 7, 2024
8U5A
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BU of 8u5a by Molmil
Improving protein expression, stability, and function with ProteinMPNN
Descriptor: Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-09-12
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving Protein Expression, Stability, and Function with ProteinMPNN.
J.Am.Chem.Soc., 146, 2024
8U55
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BU of 8u55 by Molmil
Crystal structure of Enterococcus faecium EnGen25 Penicillin-binding protein 5 (PBP5)
Descriptor: Penicillin-binding protein 5
Authors:Pemberton, O.A, Shamoo, Y.
Deposit date:2023-09-12
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Enterococcus faecium EnGen25 Penicillin-binding protein 5 (PBP5)
To Be Published
8U53
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BU of 8u53 by Molmil
Mechanically activated ion channel OSCA3.1 in nanodiscs
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CSC1-like protein ERD4, PALMITIC ACID, ...
Authors:Jojoa-Cruz, S, Lee, W.H, Ward, A.B.
Deposit date:2023-09-12
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-guided mutagenesis of OSCAs reveals differential activation to mechanical stimuli.
Elife, 12, 2024
8U51
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BU of 8u51 by Molmil
Klebsiella pneumoniae SUMO-loaded encapsulin shell
Descriptor: Klebsiella pneumoniae family 1 encapsulin shell, SUMO-targeting peptide fusion protein
Authors:Andreas, M.P, Jones, J.A, Giessen, T.W.
Deposit date:2023-09-11
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural basis for peroxidase encapsulation inside the encapsulin from the Gram-negative pathogen Klebsiella pneumoniae.
Nat Commun, 15, 2024
8U50
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BU of 8u50 by Molmil
Klebsiella pneumoniae DyP peroxidase-loaded encapsulin shell
Descriptor: Klebsiella pneumoniae family 1 encapsulin shell
Authors:Andreas, M.P, Jones, J.A, Giessen, T.W.
Deposit date:2023-09-11
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural basis for peroxidase encapsulation inside the encapsulin from the Gram-negative pathogen Klebsiella pneumoniae.
Nat Commun, 15, 2024
8U4Z
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BU of 8u4z by Molmil
Klebsiella pneumoniae encapsulin-associated DyP peroxidase
Descriptor: Family 1 encapsulin-associated DyP peroxidase, Mesoheme
Authors:Andreas, M.P, Jones, J.A, Giessen, T.W.
Deposit date:2023-09-11
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Structural basis for peroxidase encapsulation inside the encapsulin from the Gram-negative pathogen Klebsiella pneumoniae.
Nat Commun, 15, 2024
8U4W
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The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
Descriptor: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus
Authors:Marcotte, D.J.
Deposit date:2023-09-11
Release date:2024-03-27
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries.
Chemmedchem, 19, 2024

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건을2024-06-26부터공개중

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