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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
5D0Q
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BU of 5d0q by Molmil
BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
著者Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
登録日2015-08-03
公開日2016-03-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
5D0O
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BU of 5d0o by Molmil
BamABCDE complex, outer membrane beta barrel assembly machinery entire complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
登録日2015-08-03
公開日2016-03-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 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, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
3NBH
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BU of 3nbh by Molmil
Crystal structure of human RMI1C-RMI2 complex
分子名称: RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
著者Wang, F, Yang, Y, Singh, T.R, Busygina, V, Guo, R, Wan, K, Wang, W, Sung, P, Meetei, A.R, Lei, M.
登録日2010-06-03
公開日2010-09-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of RMI1 and RMI2, Two OB-Fold Regulatory Subunits of the BLM Complex.
Structure, 18, 2010
5GOU
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BU of 5gou by Molmil
Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
分子名称: Ferritin heavy chain
著者Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G.
登録日2016-07-29
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues.
Angew. Chem. Int. Ed. Engl., 55, 2016
3NBI
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BU of 3nbi by Molmil
Crystal structure of human RMI1 N-terminus
分子名称: RecQ-mediated genome instability protein 1
著者Wang, F, Yang, Y, Singh, T.R, Busygina, V, Guo, R, Wan, K, Wang, W, Sung, P, Meetei, A.R, Lei, M.
登録日2010-06-03
公開日2010-09-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of RMI1 and RMI2, Two OB-Fold Regulatory Subunits of the BLM Complex.
Structure, 18, 2010
1J97
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BU of 1j97 by Molmil
Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase
著者Cho, H, Wang, W, Kim, R, Yokota, H, Damo, S, Kim, S.-H, Wemmer, D, Kustu, S, Yan, D, Berkeley Structural Genomics Center (BSGC)
登録日2001-05-24
公開日2001-07-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase.
Proc.Natl.Acad.Sci.USA, 98, 2001
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
分子名称: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Li, D, Wang, W.
登録日2014-10-21
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
5DG4
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BU of 5dg4 by Molmil
Crystal structure of monomer human cellular retinol binding protein II-Y60L
分子名称: ACETATE ION, Retinol-binding protein 2
著者Assar, Z, Nossoni, Z, Wang, W, Gieger, J.H, Borhan, B.
登録日2015-08-27
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
8DN2
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BU of 8dn2 by Molmil
Cryo-EM structure of human Glycine Receptor alpha1-beta heteromer, glycine-bound state 2(expanded open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, GLYCINE, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
8DN4
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BU of 8dn4 by Molmil
Cryo-EM structure of human Glycine Receptor alpha-1 beta heteromer, glycine-bound state3(desensitized state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-1, Glycine receptor subunit beta,Green fluorescent protein,Glycine receptor beta, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
8DN5
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Cryo-EM structure of human Glycine Receptor alpha1-beta heteromer, glycine-bound state1(open state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, GLYCINE, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
8DN3
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BU of 8dn3 by Molmil
Cryo-EM structure of human Glycine Receptor alpha1-beta heteromer, apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
著者Liu, X, Wang, W.
登録日2022-07-10
公開日2023-10-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Asymmetric gating of a human hetero-pentameric glycine receptor.
Nat Commun, 14, 2023
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
分子名称: 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
著者Oh, A, Tam, C, Wang, W.
登録日2015-08-26
公開日2016-01-27
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 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
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
7KED
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BU of 7ked by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Wang, W, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
3UV7
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BU of 3uv7 by Molmil
Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-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
3UV3
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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
3UTD
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BU of 3utd by Molmil
Ec_IspH in complex with 4-oxopentyl diphosphate
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-25
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
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
3UV6
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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

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