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6XRZ
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BU of 6xrz by Molmil
The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
Descriptor: Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
Authors:Zhang, K, Zheludev, I, Hagey, R, Wu, M, Haslecker, R, Hou, Y, Kretsch, R, Pintilie, G, Rangan, R, Kladwang, W, Li, S, Pham, E, Souibgui, C, Baric, R, Sheahan, T, Souza, V, Glenn, J, Chiu, W, Das, R.
Deposit date:2020-07-14
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome.
Biorxiv, 2020
6WLN
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BU of 6wln by Molmil
hc16 ligase product models, 10.0 Angstrom resolution
Descriptor: RNA (349-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLT
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BU of 6wlt by Molmil
Apo V. cholerae glycine riboswitch models, 4.8 Angstrom resolution
Descriptor: RNA (231-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLK
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BU of 6wlk by Molmil
Apo ATP-TTR-3 models, 10.0 Angstrom resolution
Descriptor: RNA (130-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
8IVM
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BU of 8ivm by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-28
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVS
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BU of 8ivs by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-28
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IW6
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BU of 8iw6 by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IW3
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BU of 8iw3 by Molmil
crystal structure of SulE mutant
Descriptor: 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVE
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BU of 8ive by Molmil
crystal structure of SulE mutant
Descriptor: 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-27
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVN
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BU of 8ivn by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-28
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVT
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BU of 8ivt by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-28
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
3ZEE
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BU of 3zee by Molmil
Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain
Descriptor: PARTITIONING DEFECTIVE 3 HOMOLOG
Authors:Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W.
Deposit date:2012-12-05
Release date:2013-10-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.
Structure, 21, 2013
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
Descriptor: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
Authors:Yin, J, Eigenbrot, C, Wang, W.
Deposit date:2020-06-28
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
1D6D
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BU of 1d6d by Molmil
SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT.
Descriptor: 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3'
Authors:Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J.
Deposit date:1999-10-13
Release date:2000-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
Descriptor: GLUTATHIONE, Glutaredoxin-glutathione complex
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-07-06
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
1DCH
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BU of 1dch by Molmil
CRYSTAL STRUCTURE OF DCOH, A BIFUNCTIONAL, PROTEIN-BINDING TRANSCRIPTION COACTIVATOR
Descriptor: DCOH (DIMERIZATION COFACTOR OF HNF-1), SULFATE ION
Authors:Endrizzi, J.A, Cronk, J.D, Wang, W, Crabtree, G.R, Alber, T.
Deposit date:1995-01-24
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of DCoH, a bifunctional, protein-binding transcriptional coactivator.
Science, 268, 1995
4XJ0
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BU of 4xj0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor 14K
Descriptor: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2015-01-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Li, D, Wang, W.
Deposit date:2016-06-17
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
Descriptor: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Rouge, R, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-22
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
Descriptor: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2015-08-26
Release date:2016-01-27
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
Descriptor: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Wang, W.
Deposit date:2015-08-27
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
7V4Y
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BU of 7v4y by Molmil
TTHA1264/TTHA1265 complex
Descriptor: Putative zinc protease, ZINC ION, Zinc-dependent peptidase
Authors:Xu, M, Xu, Q, Ran, T, Wang, W, Sun, B, Wang, Q.
Deposit date:2021-08-16
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of TTHA1265 and TTHA1264/TTHA1265 complex reveal an intrinsic heterodimeric assembly.
Int.J.Biol.Macromol., 207, 2022

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