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6MRG
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BU of 6mrg by Molmil
FAAH bound to non covalent inhibitor
Descriptor: (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1
Authors:Saha, A, Shih, A, Mirzadegan, T, Seierstad, M.
Deposit date:2018-10-12
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation.
J Chem Theory Comput, 14, 2018
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
Authors:Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
Deposit date:2023-04-18
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
7ZO1
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BU of 7zo1 by Molmil
SpCas9 bound to CD34 off-target9 DNA substrate
Descriptor: CD34 off-target9 DNA non-target strand, CD34 off-target9 DNA target strand, CD34 sgRNA, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-04-23
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
6OVG
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BU of 6ovg by Molmil
L-Methionine Depletion with an Engineered Human Enzyme Disrupts Prostate Cancer Metabolism
Descriptor: Cystathionine gamma-lyase, SULFATE ION
Authors:Yan, W, Irani, S, Zhang, J.
Deposit date:2019-05-07
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:Enzyme-mediated depletion of serum l-Met abrogates prostate cancer growth via multiple mechanisms without evidence of systemic toxicity.
Proc.Natl.Acad.Sci.USA, 117, 2020
2M2C
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BU of 2m2c by Molmil
Solution structure of Duplex DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*CP*G)-3')
Authors:Ghosh, A, Kar, R.K, Chatterjee, S, Bhunia, A.
Deposit date:2012-12-18
Release date:2013-01-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Indolicidin targets duplex DNA: structural and mechanistic insight through a combination of spectroscopy and microscopy.
Chemmedchem, 9, 2014
7XRW
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BU of 7xrw by Molmil
Solution structure of T. brucei RAP1
Descriptor: Repressor activator protein 1
Authors:Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X.
Deposit date:2022-05-12
Release date:2023-03-01
Last modified:2023-04-05
Method:SOLUTION NMR
Cite:The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression.
Nat Commun, 14, 2023
5EIG
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BU of 5eig by Molmil
Engineered human cystathionine gamma lyase (E59T, E339V) to deplet cysteine
Descriptor: CYSTEINE, Cystathionine gamma-lyase, SULFATE ION
Authors:Yan, W, Zhang, J.
Deposit date:2015-10-29
Release date:2016-11-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systemic Depletion of Serum L-Cyst(e)ine with an Engineered Human Enzyme Mediates Potent Induction of ROS and Cancer Ablation
To Be Published
6M94
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BU of 6m94 by Molmil
Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex
Descriptor: Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M91
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BU of 6m91 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex
Descriptor: 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M93
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BU of 6m93 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex
Descriptor: 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M90
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BU of 6m90 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex
Descriptor: 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M92
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BU of 6m92 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex
Descriptor: 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
7QR7
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BU of 7qr7 by Molmil
SpCas9 bound to AAVS1 off-target2 DNA substrate
Descriptor: AAVS1 off-target2 non-target strand, AAVS1 off-target2 target strand, AAVS1 sgRNA, ...
Authors:Pacesa, M, JInek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QR0
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BU of 7qr0 by Molmil
SpCas9 bound to TRAC off-target1 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQV
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BU of 7qqv by Molmil
SpCas9 bound to FANCF off-target3 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target3 non-target strand, FANCF off-target3 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQW
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BU of 7qqw by Molmil
SpCas9 bound to FANCF off-target4 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target4 non-target strand, FANCF off-target4 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQQ
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BU of 7qqq by Molmil
SpCas9 bound to AAVS1 off-target4 DNA substrate
Descriptor: 1,2-ETHANEDIOL, AAVS1 off-target4 non-target strand, AAVS1 off-target4 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQX
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BU of 7qqx by Molmil
SpCas9 bound to FANCF off-target5 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target5 non-target strand, FANCF off-target5 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQP
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BU of 7qqp by Molmil
SpCas9 bound to AAVS1 off-target3 DNA substrate
Descriptor: 1,2-ETHANEDIOL, AAVS1 off-target3 non-target strand, AAVS1 off-target3 target strand, ...
Authors:Pacesa, M, JInek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQZ
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BU of 7qqz by Molmil
SpCas9 bound to FANCF off-target7 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target7 non-target strand, FANCF off-target7 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQT
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BU of 7qqt by Molmil
SpCas9 bound to FANCF off-target1 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target1 non-target strand, FANCF off-target1 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQR
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BU of 7qqr by Molmil
SpCas9 bound to AAVS1 off-target5 DNA substrate
Descriptor: 1,2-ETHANEDIOL, AAVS1 off-target5 non-target strand, AAVS1 off-target5 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QR1
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BU of 7qr1 by Molmil
SpCas9 bound to TRAC off-target2 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQO
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BU of 7qqo by Molmil
SpCas9 bound to AAVS1 off-target1 DNA substrate
Descriptor: AAVS1 off-target1 non-target strand, AAVS1 off-target1 target strand, AAVS1 sgRNA, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QR8
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BU of 7qr8 by Molmil
SpCas9 bound to PTPRC off-target1 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022

 

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