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4V3A
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BU of 4v3a by Molmil
Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link
分子名称: PLEUROTOLYSIN A, PLEUROTOLYSIN B
著者Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R.
登録日2014-10-17
公開日2015-02-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
4V3M
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BU of 4v3m by Molmil
Membrane bound pleurotolysin prepore (TMH2 helix lock) trapped with engineered disulphide cross-link
分子名称: PLEUROTOLYSIN A, PLEUROTOLYSIN B
著者Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R.
登録日2014-10-20
公開日2015-02-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
分子名称: COAT PROTEIN
著者Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
登録日2011-02-01
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
7EFZ
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BU of 7efz by Molmil
Structure of Thermotoga maritima GH5 endoglucanase TM1752 in complex with TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase, ISOPROPYL ALCOHOL
著者Manoj, N, Garg, P.
登録日2021-03-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure of Thermotoga maritima GH5 endoglucanase TM1752 in complex with TRIS
To Be Published
7EGR
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BU of 7egr by Molmil
Co-crystal structure of Ac-AChBPP in complex with RgIA
分子名称: MAGNESIUM ION, RgIA, Soluble acetylcholine receptor
著者Wang, X.Q, Pan, S, Fan, Y.X, Xue, Y, Zhu, X.P, Luo, S.L.
登録日2021-03-26
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Co-crystal structure of Ac-AChBPP in complex with RgIA
To Be Published
6JP2
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BU of 6jp2 by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus
分子名称: Pyrrolysyl-tRNA synthetase
著者Yanagisawa, T, Kuratani, M, Yokoyama, S.
登録日2019-03-25
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.272 Å)
主引用文献Fully Productive Cell-Free Genetic Code Expansion by Structure-Based Engineering ofMethanomethylophilus alvusPyrrolysyl-tRNA Synthetase.
Acs Synth Biol, 9, 2020
4V5I
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BU of 4v5i by Molmil
Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
分子名称: CALCIUM ION, ORF15, ORF16, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (5.464 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4V6T
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BU of 4v6t by Molmil
Structure of the bacterial ribosome complexed by tmRNA-SmpB and EF-G during translocation and MLD-loading
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Ramrath, D.J.F, Yamamoto, H, Rother, K, Wittek, D, Pech, M, Mielke, T, Loerke, J, Scheerer, P, Ivanov, P, Teraoka, Y, Shpanchenko, O, Nierhaus, K.H, Spahn, C.M.T.
登録日2012-01-27
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献The complex of tmRNA-SmpB and EF-G on translocating ribosomes.
Nature, 485, 2012
7ETT
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BU of 7ett by Molmil
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
著者Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
登録日2021-05-14
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
7ETV
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BU of 7etv by Molmil
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
著者Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
登録日2021-05-14
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
7ETU
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BU of 7etu by Molmil
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
著者Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
登録日2021-05-14
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
5V9P
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BU of 5v9p by Molmil
Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3ZKG
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BU of 3zkg by Molmil
BACE2 MUTANT APO STRUCTURE
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
7DTC
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BU of 7dtc by Molmil
voltage-gated sodium channel Nav1.5-E1784K
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 5 subunit alpha
著者Yan, N, Pan, X, Li, Z.
登録日2021-01-04
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human Na v 1.5 reveals the fast inactivation-related segments as a mutational hotspot for the long QT syndrome.
Proc.Natl.Acad.Sci.USA, 118, 2021
1SYL
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BU of 1syl by Molmil
Crystal structure of inactive mutant dUTPase complexed with substrate dUTP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G.
登録日2004-04-01
公開日2004-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase
J.Biol.Chem., 279, 2004
4XBD
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BU of 4xbd by Molmil
1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form)
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
登録日2014-12-16
公開日2015-03-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
5HQM
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BU of 5hqm by Molmil
Structure function studies of R. palustris RubisCO (R. palustris/R. rubrum chimera)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
著者Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, Tabita, F.R.
登録日2016-01-21
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure function studies of R. palustris RubisCO.
To Be Published
4BEL
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BU of 4bel by Molmil
BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-03-11
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKQ
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BU of 3zkq by Molmil
BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
8IND
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BU of 8ind by Molmil
Crystal structure of UGT74AN3-UDP-RES
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, ...
著者Huang, W.
登録日2023-03-09
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8INV
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BU of 8inv by Molmil
Crystal structure of UGT74AN3-UDP-BUF
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, ...
著者Long, F, Huang, W.
登録日2023-03-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8INO
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BU of 8ino by Molmil
Crystal structure of UGT74AN3 in complex UDP and PER
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Glycosyltransferase, ...
著者Long, F, Huang, W.
登録日2023-03-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8INJ
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BU of 8inj by Molmil
Crystal structure of UGT74AN3-UDP-DIG
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIGITOXIGENIN, Glycosyltransferase, ...
著者Feng, L, Wei, H.
登録日2023-03-10
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of UGT74AN3-UDP-DIG
To Be Published
8HW6
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BU of 8hw6 by Molmil
Crystal structure of Heterodera glycines chitinase 2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Chen, W, Chen, Q, Wang, D, Yang, Q.
登録日2022-12-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.923 Å)
主引用文献Crystal structure of Heterodera glycines chitinase 2
To Be Published
8JI4
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BU of 8ji4 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023

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