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6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
著者Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-04-30
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
6C0B
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BU of 6c0b by Molmil
Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ...
著者Chen, P, Lam, K, Jin, R.
登録日2017-12-28
公開日2018-05-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
6BSK
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BU of 6bsk by Molmil
Human PIM1 kinase in complex with compound 12b
分子名称: 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ...
著者Ferguson, A.D.
登録日2017-12-03
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.573 Å)
主引用文献Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Bioorg. Med. Chem. Lett., 28, 2018
6C26
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BU of 6c26 by Molmil
The Cryo-EM structure of a eukaryotic oligosaccharyl transferase complex
分子名称: (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1, ...
著者Bai, L, Li, H.
登録日2018-01-06
公開日2018-01-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The atomic structure of a eukaryotic oligosaccharyltransferase complex.
Nature, 555, 2018
1J0A
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BU of 1j0a by Molmil
Crystal Structure Analysis of the ACC deaminase homologue
分子名称: 1-aminocyclopropane-1-carboxylate deaminase, ISOPROPYL ALCOHOL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I.
登録日2002-11-12
公開日2003-05-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii
J.Mol.Biol., 341, 2004
3MGM
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BU of 3mgm by Molmil
Crystal structure of human NUDT16
分子名称: U8 snoRNA-decapping enzyme
著者Yan, J, Lu, G, Zhang, J, Qi, J, Li, Z, Gao, F.
登録日2010-04-07
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal structure and the template mRNA decapping activity of human NUDT16
To be Published
3MI0
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BU of 3mi0 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome at 2.2 A
分子名称: (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, DIMETHYLFORMAMIDE, Proteasome subunit alpha, ...
著者Li, D, Li, H.
登録日2010-04-09
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
3MFE
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BU of 3mfe by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant with H0 movement
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Li, D, Li, H.
登録日2010-04-02
公開日2010-06-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY9
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BU of 6zy9 by Molmil
Cryo-EM structure of MlaFEDB in complex with AMP-PNP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6K6L
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BU of 6k6l by Molmil
YGL082W-catalytic domain
分子名称: pseudo deubiquitinase
著者Lu, L.N, Wang, F.
登録日2019-06-03
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Inactivity of YGL082W in vitro due to impairment of conformational change in the catalytic center loop
Sci China Chem, 2019
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
8J22
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BU of 8j22 by Molmil
Cryo-EM structure of FFAR2 complex bound with TUG-1375
分子名称: (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
登録日2023-04-14
公開日2024-01-24
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J20
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BU of 8j20 by Molmil
Cryo-EM structure of FFAR3 bound with valeric acid and AR420626
分子名称: (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
登録日2023-04-14
公開日2024-01-24
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J24
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BU of 8j24 by Molmil
Cryo-EM structure of FFAR2 complex bound with acetic acid
分子名称: ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tai, L, Li, F, Tang, W, Sun, X, Wang, J.
登録日2023-04-14
公開日2024-01-24
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J21
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BU of 8j21 by Molmil
Cryo-EM structure of FFAR3 complex bound with butyrate acid
分子名称: Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
登録日2023-04-14
公開日2024-01-24
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
5B7J
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BU of 5b7j by Molmil
Structure model of Sap1-DNA complex
分子名称: DNA (5'-D(*AP*AP*TP*AP*TP*TP*GP*TP*TP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3'), Switch-activating protein 1
著者Jin, C, Hu, Y, Ding, J, Zhang, Y.
登録日2016-06-07
公開日2017-02-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe
J. Biol. Chem., 292, 2017
3MKA
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BU of 3mka by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome with propetide and an T1A mutation at beta-subunit
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Li, D, Li, H.
登録日2010-04-14
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 29, 2010
1TQF
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BU of 1tqf by Molmil
Crystal structure of human Beta secretase complexed with inhibitor
分子名称: 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-secretase 1
著者Munshi, S, Chen, Z, Kuo, L.
登録日2004-06-17
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.
J.Med.Chem., 47, 2004
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
分子名称: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
著者Lu, M.
登録日2023-01-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
4IBF
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BU of 4ibf by Molmil
Ebola virus VP35 bound to small molecule
分子名称: (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBK
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BU of 4ibk by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBC
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Ebola virus VP35 bound to small molecule
分子名称: DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014

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