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6ZJF
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BU of 6zjf by Molmil
Crystal structure of STK17B (DRAK2) in complex with AP-229
分子名称: 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
著者Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-06-28
公開日2020-07-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
6YT6
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BU of 6yt6 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
分子名称: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
著者Musil, D, Heinrich, T.
登録日2020-04-23
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.537 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YXV
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BU of 6yxv by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide
分子名称: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
著者Musil, D, Heinrich, T, Amaral, M.
登録日2020-05-04
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVY
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FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
分子名称: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Focal adhesion kinase 1, SULFATE ION
著者Musil, D, Amaral, M.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6Z81
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TsaBD bound to the inhibitor
分子名称: (2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Missoury, S, Van Tilbeurgh, H.
登録日2020-06-02
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure of a reaction intermediate mimic in t6A biosynthesis bound in the active site of the TsaBD heterodimer from Escherichia coli.
Nucleic Acids Res., 49, 2021
4FB9
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BU of 4fb9 by Molmil
Structure of mutant RIP from barley seeds
分子名称: Protein synthesis inhibitor I
著者Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K.
登録日2012-05-22
公開日2012-10-31
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism.
Acta Crystallogr.,Sect.D, 68, 2012
6ZIL
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BU of 6zil by Molmil
Structure of the isolated REC domain of RcsB from Salmonella enterica serovar Typhimurium in the apo form
分子名称: Transcriptional regulatory protein RcsB
著者Huesa, J, Marina, A, Casino, P.
登録日2020-06-26
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon.
Nucleic Acids Res., 49, 2021
6YVS
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BU of 6yvs by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one
分子名称: 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION
著者Musil, D, Heinrich, T, Amaral, M.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
4FFY
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BU of 4ffy by Molmil
Crystal structure of DENV1-E111 single chain variable fragment bound to DENV-1 DIII, strain 16007.
分子名称: CHLORIDE ION, DENV1-E111 single chain variable fragment (heavy chain), DENV1-E111 single chain variable fragment (light chain), ...
著者Austin, S.K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-06-01
公開日2012-06-20
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope.
Plos Pathog., 8, 2012
4W88
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BU of 4w88 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with a xyloglucan oligosaccharide and TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, ...
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
6ZII
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BU of 6zii by Molmil
Structure of the isolated REC domain of RcsB from Salmonella enterica serovar Typhimurium in the presence of phosphomimetic BeF3-
分子名称: MAGNESIUM ION, Transcriptional regulatory protein RcsB
著者Huesa, J, Marina, A, Casino, P.
登録日2020-06-26
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon.
Nucleic Acids Res., 49, 2021
6Z1W
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BU of 6z1w by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant A100C
分子名称: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-05-14
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
4FIB
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BU of 4fib by Molmil
Crystal structure of the ydhK protein from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR518A.
分子名称: Uncharacterized protein ydhK
著者Vorobiev, S, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Maglaqui, M, Owens, L.A, Cunningham, K, Zhao, L, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-06-08
公開日2012-06-20
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Crystal structure of the ydhK protein from Bacillus subtilis.
To be Published
4FJ3
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BU of 4fj3 by Molmil
14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide
分子名称: 14-3-3 protein zeta/delta, RAF proto-oncogene serine/threonine-protein kinase
著者Ottmann, C, Molzan, M.
登録日2012-06-11
公開日2012-09-05
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Synergistic binding of the phosphorylated S233- and S259-binding sites of C-RAF to one 14-3-3zeta dimer
J.Mol.Biol., 423, 2012
7M0E
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BU of 7m0e by Molmil
Pre-catalytic synaptic complex of DNA Polymerase Lambda with gapped DSB substrate and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*GP*C)-3'), ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
4WA5
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BU of 4wa5 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with zanamivir
分子名称: CALCIUM ION, Neuraminidase, ZANAMIVIR, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
6Z2B
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BU of 6z2b by Molmil
Toprim domain of RNase M5 bound with two Mg2+ ions
分子名称: MAGNESIUM ION, Ribonuclease M5
著者Oerum, S, Catala, M, Tisne, C.
登録日2020-05-15
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.138 Å)
主引用文献Structural studies of RNase M5 reveal two-metal-ion supported two-step dsRNA cleavage for 5S rRNA maturation.
Rna Biol., 18, 2021
7M09
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BU of 7m09 by Molmil
Pre-catalytic quaternary complex of DNA Polymerase Lambda with blunt-ended DSB substrate and incoming dUMPNPP
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
7M0A
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BU of 7m0a by Molmil
Incomplete in crystallo incorporation by DNA Polymerase Lambda bound to blunt-ended DSB substrate and incoming dTTP
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*GP*CP*T)-3'), ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
6YXJ
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BU of 6yxj by Molmil
Crystal structure of SARS-CoV macrodomain II in complex with human Paip1
分子名称: Non-structural protein 3, Polyadenylate-binding protein-interacting protein 1
著者Lei, J, Hilgenfeld, R.
登録日2020-05-02
公開日2021-03-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The SARS-unique domain (SUD) of SARS-CoV and SARS-CoV-2 interacts with human Paip1 to enhance viral RNA translation.
Embo J., 40, 2021
4FM7
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BU of 4fm7 by Molmil
Crystal Structure of BACE with Compound 14g
分子名称: 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, Beta-secretase 1, ZINC ION
著者Vajdos, F.F, Varghese, A.H.
登録日2012-06-15
公開日2012-10-03
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
6QNS
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BU of 6qns by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors
分子名称: Botulinum neurotoxin type B, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Synaptotagmin-1
著者Masuyer, G, Yin, L, Zhang, S, Miyashita, S.I, Dong, M, Stenmark, P.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy.
Plos Biol., 18, 2020
7M0D
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BU of 7m0d by Molmil
Pre-catalytic quaternary complex of DNA Polymerase Lambda with bound complementary DSB substrate and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
4WE9
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The crystal structure of hemagglutinin from influenza virus A/Victoria/361/2011 in complex with 3'SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J.
登録日2014-09-09
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
7M0B
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BU of 7m0b by Molmil
Pre-catalytic quaternary complex of DNA Polymerase Lambda with bound mismatched DSB and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022

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