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2ZGJ
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BU of 2zgj by Molmil
Crystal Structure of D86N-GzmM Complexed with Its Optimal Synthesized Substrate
分子名称: Granzyme M, SSGKVPLS, SULFATE ION
著者Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
登録日2008-01-22
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
2ZGH
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BU of 2zgh by Molmil
Crystal Structure of active granzyme M bound to its product
分子名称: Granzyme M, SSGKVPL, SULFATE ION
著者Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
登録日2008-01-22
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
6RBC
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BU of 6rbc by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157
分子名称: (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Kutil, Z.
登録日2019-04-10
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
J.Med.Chem., 63, 2020
5UBR
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BU of 5ubr by Molmil
CRYSTAL STRUCTURE OF PI3K ALPHA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE
分子名称: 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Sack, J.S.
登録日2016-12-21
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
2ZGC
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BU of 2zgc by Molmil
Crystal Structure of Active Human Granzyme M
分子名称: Granzyme M, SULFATE ION
著者Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
登録日2008-01-21
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
5UBT
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BU of 5ubt by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE
分子名称: 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Sack, J.S.
登録日2016-12-21
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5UF7
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BU of 5uf7 by Molmil
CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN
分子名称: Protein unc-13 homolog A
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2017-01-03
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
6S1X
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BU of 6s1x by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160
分子名称: (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Kutil, Z.
登録日2019-06-19
公開日2020-05-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
J.Med.Chem., 63, 2020
4QQG
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BU of 4qqg by Molmil
Crystal structure of an N-terminal HTATIP fragment
分子名称: Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
分子名称: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
著者Sack, J.S.
登録日2008-01-11
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3BXU
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BU of 3bxu by Molmil
PpcB, A Cytochrome c7 from Geobacter sulfurreducens
分子名称: Cytochrome c3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Pokkuluri, P.R, Schiffer, M.
登録日2008-01-14
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into the modulation of the redox properties of two Geobacter sulfurreducens homologous triheme cytochromes.
Biochim.Biophys.Acta, 1777, 2008
2BYG
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BU of 2byg by Molmil
2nd PDZ Domain of Discs Large Homologue 2
分子名称: CHANNEL ASSOCIATED PROTEIN OF SYNAPSE-110
著者Elkins, J.M, Schoch, G.A, Smee, C.E.A, Berridge, G, Salah, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2005-08-01
公開日2005-08-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
1UP7
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BU of 1up7 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-11-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
2HE2
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BU of 2he2 by Molmil
Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2
分子名称: Discs large homolog 2
著者Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
1UP4
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BU of 1up4 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.85 Angstrom resolution in the monoclinic form
分子名称: 6-PHOSPHO-BETA-GLUCOSIDASE
著者Varrot, A, Yip, V, Withers, S.G, Davies, G.J.
登録日2003-09-26
公開日2004-11-18
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
2HE4
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BU of 2he4 by Molmil
The crystal structure of the second PDZ domain of human NHERF-2 (SLC9A3R2) interacting with a mode 1 PDZ binding motif
分子名称: 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2
著者Papagrigoriou, E, Elkins, J.M, Berridge, G, Gileady, O, Colebrook, S, Gileadi, C, Salah, E, Savitsky, P, Pantic, N, Gorrec, F, Bunkoczi, G, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
1UP6
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BU of 1up6 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-08-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima.
J.Am.Chem.Soc., 126, 2004
7SHO
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BU of 7sho by Molmil
Crystal structure of hSTING in complex with c[2',3'-(ara-2'-G, ribo-3'-A)-MP] (RJ242)
分子名称: (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J.
登録日2021-10-10
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
7SHP
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BU of 7shp by Molmil
Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244)
分子名称: (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J.
登録日2021-10-11
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
6IJ7
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BU of 6ij7 by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein
著者Zong, G, Wang, X.
登録日2018-10-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
7TD5
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BU of 7td5 by Molmil
Structure of human PRC2-EZH1 containing phosphorylated SUZ12
分子名称: Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ...
著者Gong, L, Jiao, L, Liu, X.
登録日2021-12-30
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
6IJD
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BU of 6ijd by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, UDP-glycosyltransferase 89C1
著者Zong, G, Wang, X.
登録日2018-10-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.206 Å)
主引用文献Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
6IJA
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BU of 6ija by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP-L-rhamnose
分子名称: UDP-glycosyltransferase 89C1, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Zong, G, Wang, X.
登録日2018-10-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.214 Å)
主引用文献Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
6IZG
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BU of 6izg by Molmil
Solution structure of Ufm1 protein from Trypanosoma brucei
分子名称: Ubiquitin-fold modifier 1
著者Diwu, Y, Tu, X.
登録日2018-12-19
公開日2020-01-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of TbUfm1 from Trypanosoma brucei and its binding to TbUba5.
J.Struct.Biol., 212, 2020

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