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6W3K
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BU of 6w3k by Molmil
Structure of unphosphorylated human IRE1 bound to G-9807
分子名称: 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Lammens, A, Wang, W, Ferri, E, Rudolph, J.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
分子名称: 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
著者Yin, J, Eigenbrot, C, Wang, W.
登録日2020-06-28
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献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
3UV3
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BU of 3uv3 by Molmil
Ec_IspH in complex with but-2-ynyl diphosphate (1086)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3URK
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BU of 3urk by Molmil
IspH in complex with propynyl diphosphate (1061)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-22
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UTC
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BU of 3utc by Molmil
Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-25
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
分子名称: GLUTATHIONE, Glutaredoxin-glutathione complex
著者Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
登録日2016-07-06
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
3UV6
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BU of 3uv6 by Molmil
Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-12-02
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
5IME
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BU of 5ime by Molmil
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
分子名称: 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
著者Li, D, Wang, W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
6JLU
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BU of 6jlu by Molmil
Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J.
登録日2019-03-06
公開日2019-07-31
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
6WLL
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BU of 6wll by Molmil
Apo F. nucleatum glycine riboswitch models, 10.0 Angstrom resolution
分子名称: RNA (171-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLJ
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BU of 6wlj by Molmil
ATP-TTR-3 with AMP models, 9.6 Angstrom resolution
分子名称: RNA (130-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (9.6 Å)
主引用文献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
分子名称: RNA (231-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献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
分子名称: RNA (130-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLQ
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BU of 6wlq by Molmil
Apo SAM-IV riboswitch models, 4.7 Angstrom resolution
分子名称: RNA (119-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLO
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BU of 6wlo by Molmil
hc16 ligase models, 11.0 Angstrom resolution
分子名称: RNA (338-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLM
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BU of 6wlm by Molmil
F. nucleatum glycine riboswitch with glycine models, 7.4 Angstrom resolution
分子名称: RNA (171-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
分子名称: 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
著者Rouge, L, Wang, W.
登録日2015-05-22
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
6WLR
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BU of 6wlr by Molmil
SAM-IV riboswitch with SAM models, 4.8 Angstrom resolution
分子名称: RNA (119-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6WLS
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BU of 6wls by Molmil
Tetrahymena ribozyme models, 6.8 Angstrom resolution
分子名称: RNA (388-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6XRZ
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BU of 6xrz by Molmil
The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
分子名称: Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
著者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.
登録日2020-07-14
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome.
Biorxiv, 2020
6SKV
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BU of 6skv by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
6SU9
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BU of 6su9 by Molmil
Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL
分子名称: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Groves, M.R, Gao, K, Wang, W.
登録日2019-09-13
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL.
Crystals, 2019
6SKS
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BU of 6sks by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
6WLU
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BU of 6wlu by Molmil
V. cholerae glycine riboswitch with glycine models, 5.7 Angstrom resolution
分子名称: RNA (231-MER)
著者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.
登録日2020-04-20
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020

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