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2LCT
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BU of 2lct by Molmil
Solution structure of the Vav1 SH2 domain complexed with a Syk-derived doubly phosphorylated peptide
Descriptor: Proto-oncogene vav, Tyrosine-protein kinase SYK
Authors:Chen, C, Gorenstein, N, Post, C.
Deposit date:2011-05-09
Release date:2011-06-01
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Two closely spaced tyrosines regulate NFAT signaling in B cells via Syk association with Vav.
Mol.Cell.Biol., 31, 2011
4AP5
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BU of 4ap5 by Molmil
Crystal structure of human POFUT2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ...
Authors:Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H.
Deposit date:2012-03-30
Release date:2012-08-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
4AP6
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BU of 4ap6 by Molmil
Crystal structure of human POFUT2 E54A mutant in complex with GDP- fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ...
Authors:Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H.
Deposit date:2012-03-30
Release date:2012-08-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Descriptor: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRY
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BU of 5dry by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRT
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BU of 5drt by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
Descriptor: 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
3UE5
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BU of 3ue5 by Molmil
ECP-cleaved Actin in complex with Spir domain D
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Chen, C, Phillips, M, Sawaya, M.R, Ralston, C.Y, Quinlan, M.E.
Deposit date:2011-10-28
Release date:2012-02-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
4JDJ
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BU of 4jdj by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide T peptide substrate
Descriptor: Paktide T, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDH
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BU of 4jdh by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T peptide substrate
Descriptor: Paktide T, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDK
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BU of 4jdk by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide S peptide substrate
Descriptor: Paktide S, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDI
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BU of 4jdi by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Paktide S, ...
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JCN
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BU of 4jcn by Molmil
Structure of ESP, serine protease from Staphylococcus epidermidis
Descriptor: Glutamyl endopeptidase
Authors:Krishnan, V, Sthanam, V.L.N.
Deposit date:2013-02-22
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Secreted proteases control autolysin-mediated biofilm growth of Staphylococcus aureus
J.Biol.Chem., 288, 2013
4EFH
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BU of 4efh by Molmil
Acanthamoeba Actin complex with Spir domain D
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-1, CALCIUM ION, ...
Authors:Chen, C, Phillips, M, Sawaya, M.R, Quinlan, M.E.
Deposit date:2012-03-29
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
7W5G
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BU of 7w5g by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic
Descriptor: GLYCEROL, SULFATE ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5F
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BU of 7w5f by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic
Descriptor: MAGNESIUM ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5J
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BU of 7w5j by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2
Descriptor: FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5I
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BU of 7w5i by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1
Descriptor: FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5H
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BU of 7w5h by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FsPP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONATE ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7WNJ
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BU of 7wnj by Molmil
Crystal structure and Cap Binding analysis of the methyltransferase of Langat virus
Descriptor: Core protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, C, Ruixue, L.
Deposit date:2022-01-18
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of NS5 Methyltransferase from Zika Virus
To Be Published
3JZI
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BU of 3jzi by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series
Descriptor: 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase
Authors:Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T.
Deposit date:2009-09-23
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1KM8
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BU of 1km8 by Molmil
The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
Descriptor: PHOSPHATE ION, RIBONUCLEASE, OOCYTES
Authors:Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C.
Deposit date:2001-12-14
Release date:2003-09-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
To be Published
1KM9
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BU of 1km9 by Molmil
The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
Descriptor: PHOSPHATE ION, RIBONUCLEASE, OOCYTES
Authors:Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C.
Deposit date:2001-12-14
Release date:2003-09-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
To be Published
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2014-09-07
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
8HLC
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BU of 8hlc by Molmil
S protein of SARS-CoV-2 in complex with 3711
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Y.Y, Guo, Y.Y, Zhou, Q.
Deposit date:2022-11-29
Release date:2024-06-05
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Defining the features and structure of neutralizing antibody targeting the silent face of the SARS-CoV-2 spike N-terminal domain.
MedComm (2020), 5, 2024

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數據於2025-07-09公開中

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